![4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide structure](/static/products/4947/494746-31-5.webp)
4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide
TL;DR: 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide (CAS 494746-31-5) is a chemical compound with molecular formula C13H12ClN5O3S and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,3-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-5-carboxamide
Also Known As: 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide, N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-{4-nitrophenyl}thiourea, 4-chloranyl-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide, 4-chloro-1,3-dimethyl-N-[(4-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide, 4-chloro-2,5-dimethyl-N-[(4-nitroanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide
| Molecular Formula | C13H12ClN5O3S |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | 2.41692 |
| Topological Polar Surface Area | 102.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.03494 |
| Heavy Atoms | 23 |
| Complexity | 787.65283 |
Chemical Identifiers
| CAS Number | 494746-31-5 |
|---|---|
| SMILES | CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide (CAS 494746-31-5), with molecular formula C13H12ClN5O3S and molecular weight 353.03 g/mol. IUPAC: 4-chloro-1,3-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-5-carboxamide.
Chemical Property Profile of 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide
Property Insights of 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide
The XLogP value of 2.41692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide. The TPSA of 102.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-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 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide?
The CAS number of 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide is 494746-31-5.
What is the molecular formula of 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide?
The molecular formula of 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide is C13H12ClN5O3S.
What is the molecular weight of 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide?
The molecular weight of 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide is 353.03 g/mol.
Where can I buy 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide?
You can request a quote for 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.