3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid (CAS 956199-90-9) is a chemical compound with molecular formula C16H12N4O6S and molecular weight 388.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)pyrazole-5-carboxylic acid
Also Known As: 5-(4-nitrophenyl)-2-(4-sulfamoylphenyl)pyrazole-3-carboxylic Acid, 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid
| Molecular Formula | C16H12N4O6S |
|---|---|
| Molecular Weight | 388.05 g/mol |
| LogP | 1.7931 |
| Topological Polar Surface Area | 158.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.04776 |
| Heavy Atoms | 27 |
| Complexity | 1134.6586 |
Chemical Identifiers
| CAS Number | 956199-90-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-] |
Product Overview
3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid (CAS 956199-90-9), with molecular formula C16H12N4O6S and molecular weight 388.05 g/mol. IUPAC: 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)pyrazole-5-carboxylic acid.
Chemical Property Profile of 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.7931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid. The TPSA of 158.42 Ų indicates high polarity, suggesting 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 6 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 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid is 956199-90-9.
What is the molecular formula of 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid is C16H12N4O6S.
What is the molecular weight of 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid is 388.05 g/mol.
Where can I buy 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-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 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.