ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
TL;DR: ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate (CAS 956360-15-9) is a chemical compound with molecular formula C18H16N4O6S and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)pyrazole-5-carboxylate
Also Known As: ethyl 5-(4-nitrophenyl)-2-(4-sulfamoylphenyl)pyrazole-3-carboxylate, ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
| Molecular Formula | C18H16N4O6S |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 2.2716 |
| Topological Polar Surface Area | 147.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.07904 |
| Heavy Atoms | 29 |
| Complexity | 1168.0653 |
Chemical Identifiers
| CAS Number | 956360-15-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate (CAS 956360-15-9), with molecular formula C18H16N4O6S and molecular weight 416.08 g/mol. IUPAC: ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)pyrazole-5-carboxylate.
Chemical Property Profile of ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
Property Insights of ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
The XLogP value of 2.2716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate. The TPSA of 147.42 Ų indicates high polarity, suggesting ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate has 1 hydrogen bond donor(s) and 7 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 ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate is 956360-15-9.
What is the molecular formula of ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate is C18H16N4O6S.
What is the molecular weight of ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate is 416.08 g/mol.
Where can I buy ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(4-nitrophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.