4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
TL;DR: 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005666-80-7) is a chemical compound with molecular formula C11H9ClF3N3OS and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
Also Known As: 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide, 4-CHLORO-1-METHYL-N-(2-THIENYLMETHYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C11H9ClF3N3OS |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 3.0838 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.01068 |
| Heavy Atoms | 20 |
| Complexity | 621.63715 |
Chemical Identifiers
| CAS Number | 1005666-80-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)Cl)C(=O)NCC2=CC=CS2 |
Product Overview
4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005666-80-7), with molecular formula C11H9ClF3N3OS and molecular weight 323.01 g/mol. IUPAC: 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
Chemical Property Profile of 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
Property Insights of 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
The XLogP value of 3.0838 indicates that 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 3 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-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The CAS number of 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is 1005666-80-7.
What is the molecular formula of 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular formula of 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is C11H9ClF3N3OS.
What is the molecular weight of 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular weight of 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is 323.01 g/mol.
Where can I buy 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
You can request a quote for 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)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-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.