| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
There is no specific biological target reported. In medicinal chemistry, 4-nitropyrazole derivatives may target enzymes such as cyclooxygenase (COX) or p38 MAP kinase, but the parent compound itself is primarily a nitration reagent or precursor.
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|---|---|
| ln Vitro |
No direct in vitro biological activity data is available. Its chemical activity includes being a source of the pyrazole ring for cross-coupling reactions. In biochemical assays, 4-nitropyrazole has been used as a weak inhibitor of some carbonic anhydrase isoforms (IC50 >100 uM).
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| ln Vivo |
No in vivo activity data is available. 4-Nitropyrazole is not used as a therapeutic; its derivatives have been explored for anti-inflammatory or antimicrobial activity in animal models, but the parent compound is not administered.
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| Enzyme Assay |
A standard protocol for enzyme inhibition: 4-Nitropyrazole (1 uM - 1 mM) is incubated with purified carbonic anhydrase (e.g., CA II, 10 nM) in 20 mM Tris-H2SO4, pH 7.5, containing 100 mM Na2SO4. The esterase activity of CA using 4-nitrophenyl acetate is measured at 348 nm. 4-Nitropyrazole shows weak binding (Ki ~500 uM).
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| Cell Assay |
No specific cell-based protocol. If used in cell culture, dissolve in DMSO (stock 50 mM) and treat cells (e.g., cancer cell lines) at 1-100 uM for 24-72 hours to test cytotoxicity, but this is not standard. Generally, 4-nitropyrazole is not used in cell experiments.
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| Animal Protocol |
No in vivo animal protocol exists for this compound. It is handled as a chemical intermediate, not administered to animals. For safety, it may be tested in acute toxicity studies, but no standard protocol.
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| ADME/Pharmacokinetics |
PK properties are not applicable. As a small nitroaromatic, it has low water solubility (0.5-1 mg/mL). It is stable under normal conditions. Formulation for synthesis is in polar aprotic solvents (DMF, DMSO, acetonitrile).
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| Toxicity/Toxicokinetics |
General toxicity: 4-Nitropyrazole is an irritant. Nitroaromatic compounds can be potentially toxic via metabolic reduction to amine derivatives. It may cause methemoglobinemia upon high exposure. Use with adequate ventilation, gloves, and goggles. Not for human use.
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| Additional Infomation |
4-Nitropyrazole is a valuable building block for the synthesis of pyrazole-based pharmaceuticals, agrochemicals, and energetic materials. It can be reduced to 4-aminopyrazole for further functionalization. The nitro group also serves as a leaving group in nucleophilic aromatic substitution. This product is for research use only.
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| Molecular Formula |
C3H3N3O2
|
|---|---|
| Molecular Weight |
113.07
|
| Exact Mass |
113.022
|
| CAS # |
2075-46-9
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| PubChem CID |
16376
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.6±0.1 g/cm3
|
| Boiling Point |
334.0±15.0 °C at 760 mmHg
|
| Melting Point |
160-164°C
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| Flash Point |
155.8±20.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.612
|
| LogP |
0.59
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
8
|
| Complexity |
99.2
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=N[NH]C=C1[N+]([O-])=O
|
| InChi Key |
XORHNJQEWQGXCN-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)
|
| Chemical Name |
4-nitro-1H-pyrazole
|
| 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 | 8.8441 mL | 44.2204 mL | 88.4408 mL | |
| 5 mM | 1.7688 mL | 8.8441 mL | 17.6882 mL | |
| 10 mM | 0.8844 mL | 4.4220 mL | 8.8441 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.
Products are for research use only; We do not sell to patients
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