4-Nitro-1H-pyrazole-3-carboxylic acid
TL;DR: 4-Nitro-1H-pyrazole-3-carboxylic acid (CAS 5831-00-5) is a chemical compound with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1H-pyrazole-5-carboxylic acid
Also Known As: 4-Nitro-1H-pyrazole-3-carboxylic acid, 4-Nitropyrazole-3-carboxylic acid, 4-nitro-1H-pyrazole-5-carboxylic acid, 4-Nitro-3-pyrazolecarboxylic acid, nitropyrazolecarboxylic
| Molecular Formula | C4H3N3O4 |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.01236 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 5831-00-5 |
|---|---|
| SMILES | C1=NNC(=C1[N+](=O)[O-])C(=O)O |
| InChIKey | ZMAXXOYJWZZQBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-1H-pyrazole-3-carboxylic acid (CAS 5831-00-5), with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol. IUPAC: 4-nitro-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-Nitro-1H-pyrazole-3-carboxylic acid
Property Insights of 4-Nitro-1H-pyrazole-3-carboxylic acid
The XLogP value of -0.1 indicates that 4-Nitro-1H-pyrazole-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Nitro-1H-pyrazole-3-carboxylic acid has 2 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 4-Nitro-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-Nitro-1H-pyrazole-3-carboxylic acid is 5831-00-5.
What is the molecular formula of 4-Nitro-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Nitro-1H-pyrazole-3-carboxylic acid is C4H3N3O4.
What is the molecular weight of 4-Nitro-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Nitro-1H-pyrazole-3-carboxylic acid is 157.01 g/mol.
Where can I buy 4-Nitro-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Nitro-1H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.