![1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide structure](/static/products/4968/496834-39-0.webp)
1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide
TL;DR: 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide (CAS 496834-39-0) is a chemical compound with molecular formula C13H13N5O3S and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide
Also Known As: 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide, 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]-1H-pyrazole-4-carboxamide, 1-ethyl-N-[(4-nitrophenyl)thiocarbamoyl]pyrazole-4-carboxamide, N-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-N'-{4-nitrophenyl}thiourea, N-[(1-ETHYL-1H-PYRAZOL-4-YL)CARBONYL]-N'-(4-NITROPHENYL)THIOUREA
| Molecular Formula | C13H13N5O3S |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 1.938 |
| Topological Polar Surface Area | 102.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0739 |
| Heavy Atoms | 22 |
| Complexity | 710.7206 |
Chemical Identifiers
| CAS Number | 496834-39-0 |
|---|---|
| SMILES | CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide (CAS 496834-39-0), with molecular formula C13H13N5O3S and molecular weight 319.07 g/mol. IUPAC: 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide.
Chemical Property Profile of 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide
Property Insights of 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide
The XLogP value of 1.938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide. The TPSA of 102.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide. Following Lipinski's Rule of Five, 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide 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 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide?
The CAS number of 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide is 496834-39-0.
What is the molecular formula of 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide?
The molecular formula of 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide is C13H13N5O3S.
What is the molecular weight of 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide?
The molecular weight of 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide is 319.07 g/mol.
Where can I buy 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide?
You can request a quote for 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.