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 323.01068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C11H9ClF3N3OS |
| Molecular Weight | 323.01068 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.01068 Da |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)Cl)C(=O)NCC2=CC=CS2 |
| InChIKey | BZQMUBSIIGJUGN-UHFFFAOYSA-N |
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 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide. 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 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 323.01068 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
Yes, CoreyChem 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.