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| Other Sizes |
| Targets |
No specific primary biological target has been identified for 1-methyl-5-pyrazolecarboxylic acid, as it functions primarily as a biochemical reagent and synthetic intermediate rather than a direct pharmacological agent. However, the compound has a role as a metabolite, suggesting that it may be involved in biological metabolic pathways. Pyrazole derivatives are known to exhibit a wide range of biological activities, including anti-inflammatory, antimicrobial, anticancer, and enzyme inhibitory properties. The compound's carboxylic acid group allows it to form hydrogen bonds and ionic interactions with biological targets, while the pyrazole ring can participate in π-π stacking and hydrophobic interactions. In cancer research, the compound may be used as a building block for the synthesis of anticancer agents. Its role as a metabolite suggests that it may be a product of biological transformations in living organisms.
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| ln Vitro |
In vitro, 1-methyl-5-pyrazolecarboxylic acid is used as a biochemical reagent for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery. The compound can be used in cancer research. As a metabolite, it may be studied in metabolic profiling experiments to understand its role in biological systems. In medicinal chemistry, it serves as a building block for the synthesis of various biologically active molecules, including potential anticancer agents. Its carboxylic acid group allows for derivatization through amidation, esterification, and other transformations to produce a diverse range of compounds. In organic synthesis, it is used as a precursor for the preparation of pyrazole-containing compounds with various applications in pharmaceutical and agrochemical research.
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| Enzyme Assay |
Cell-free assays involving 1-methyl-5-pyrazolecarboxylic acid are focused on its use as a chemical reagent. Standard protocols for derivatization involve activating the carboxylic acid with coupling reagents such as EDC or HATU, followed by reaction with amines to form amides. The reaction progress is monitored by TLC or HPLC, and the products are purified by column chromatography or recrystallization. For sulfonylation reactions, the compound is used as a sulfonylation reagent in organic synthesis. The compound's reactivity can be studied using various analytical techniques including NMR spectroscopy, mass spectrometry, and HPLC. Its use in cancer research involves the synthesis of derivatives that are subsequently tested for biological activity.
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| Cell Assay |
Cellular assays are not commonly performed with 1-methyl-5-pyrazolecarboxylic acid itself, as it is primarily a chemical reagent and synthetic intermediate rather than a bioactive compound. However, its derivatives may be evaluated in cell-based systems for various biological activities. For anticancer research, derivatives of this compound may be tested in cancer cell lines to assess cell viability, proliferation, and apoptosis. The compound's role as a metabolite suggests that it may be studied in cellular metabolism experiments to understand its formation and function. The compound itself is not used as a test article in cell-based experiments due to its primary role as a building block. Instead, it is used in the synthesis of drug candidates that are subsequently tested in cellular assays.
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| Animal Protocol |
Animal studies are not conducted with the parent compound 1-methyl-5-pyrazolecarboxylic acid. Its derivatives, such as potential anticancer agents synthesized from this compound, may be evaluated in animal models for therapeutic efficacy. For anticancer research, derivatives are tested in xenograft or orthotopic mouse models of cancer to assess tumor growth inhibition, survival, and toxicity. However, specific in vivo studies on the parent compound are not documented. The parent compound itself is not administered to animals, as it is a synthetic intermediate and biochemical reagent.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 1-methyl-5-pyrazolecarboxylic acid are not well characterized, as the compound is primarily a research reagent rather than a drug candidate. With a molecular weight of 126.11 g/mol and a calculated LogP of -0.36, the compound is small and hydrophilic, suggesting that it would have high water solubility and potentially limited membrane permeability if administered. The compound has a topological polar surface area that would facilitate renal excretion. However, comprehensive pharmacokinetic studies including absorption, distribution, metabolism, and excretion have not been performed, as the compound is not intended for therapeutic use. For research purposes, the compound is typically handled as a neat chemical and not administered to living organisms for pharmacokinetic profiling.
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| Toxicity/Toxicokinetics |
1-Methyl-5-pyrazolecarboxylic acid is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is a member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 5. It has a role as a metabolite and is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery. The compound can be used in cancer research. It has a molecular weight of 126.11 g/mol, a melting point of 223.5-224.5 °C, and a purity of ≥98%. The compound should be stored at -20°C for long-term stability. It is for research use only and not for human use.
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| Additional Infomation |
1-Methylpyrazole-5-carboxylic acid is a type of pyrazole compound with an N-methylpyrazole group substituted with a carboxyl group at the 5-position. It is a metabolite belonging to the pyrazole class and monocarboxylic acids, and is functionally related to N-methylpyrazole.
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| Molecular Formula |
C5H6N2O2
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|---|---|
| Molecular Weight |
126.11
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| Exact Mass |
126.042
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| CAS # |
16034-46-1
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| PubChem CID |
643158
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
306.9±15.0 °C at 760 mmHg
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| Melting Point |
223.5-224.5
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| Flash Point |
139.4±20.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.591
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| LogP |
-0.36
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
9
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| Complexity |
126
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1C(=CC=N1)C(=O)O
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| InChi Key |
JREJQAWGQCMSIY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H6N2O2/c1-7-4(5(8)9)2-3-6-7/h2-3H,1H3,(H,8,9)
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| Chemical Name |
2-methylpyrazole-3-carboxylic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.9296 mL | 39.6479 mL | 79.2959 mL | |
| 5 mM | 1.5859 mL | 7.9296 mL | 15.8592 mL | |
| 10 mM | 0.7930 mL | 3.9648 mL | 7.9296 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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