N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
TL;DR: N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CAS 957486-67-8) is a chemical compound with molecular formula C12H8ClF3N4O3 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
Also Known As: N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, N-(4-chloro-3-nitrophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, N-(4-chloro-3-nitrophenyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
| Molecular Formula | C12H8ClF3N4O3 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 3.2528 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0237 |
| Heavy Atoms | 23 |
| Complexity | 788.3435 |
Chemical Identifiers
| CAS Number | 957486-67-8 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CAS 957486-67-8), with molecular formula C12H8ClF3N4O3 and molecular weight 348.02 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
Chemical Property Profile of N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Property Insights of N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
The XLogP value of 3.2528 indicates that N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide has 1 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 N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The CAS number of N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is 957486-67-8.
What is the molecular formula of N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The molecular formula of N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is C12H8ClF3N4O3.
What is the molecular weight of N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The molecular weight of N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is 348.02 g/mol.
Where can I buy N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
You can request a quote for N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{4-chloro-3-nitrophenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.