5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid (CAS 189083-63-4) is a chemical compound with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid, 3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid, TOS-BB-0273, 2-(4-Chlorobenzoyl)benzoicAcid, 1H-Pyrazole-3-carboxylic acid, 5-(4-nitrophenyl)-
| Molecular Formula | C10H7N3O4 |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 1.6831 |
| Topological Polar Surface Area | 109.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.04366 |
| Heavy Atoms | 17 |
| Complexity | 573.4919 |
Chemical Identifiers
| CAS Number | 189083-63-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid (CAS 189083-63-4), with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol. IUPAC: 3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 1.6831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid. The TPSA of 109.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid is 189083-63-4.
What is the molecular formula of 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid is C10H7N3O4.
What is the molecular weight of 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid is 233.04 g/mol.
Where can I buy 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-(4-nitrophenyl)-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 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.