1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid
TL;DR: 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid (CAS 83310-97-8) is a chemical compound with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitropyrazole-5-carboxylic acid
Also Known As: 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid, 2-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid, 2-methyl-4-nitropyrazole-3-carboxylic acid, 1-Methyl-4-nitro-5-pyrazolecarboxylic acid, 3-(Perfluorobutyl)propanol
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 83310-97-8 |
|---|---|
| SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)O |
| InChIKey | ANGMMUPJSXUXGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid (CAS 83310-97-8), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 1-methyl-4-nitropyrazole-5-carboxylic acid.
Chemical Property Profile of 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid
Property Insights of 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid
The XLogP value of -0.1 indicates that 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid is 83310-97-8.
What is the molecular formula of 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid is C5H5N3O4.
What is the molecular weight of 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid is 171.03 g/mol.
Where can I buy 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.