N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
TL;DR: N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005656-15-4) is a chemical compound with molecular formula C10H13ClF3N3O and molecular weight 283.06992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
Also Known As: N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide, 4-chloro-2-methyl-N-tert-butyl-5-(trifluoromethyl)pyrazole-3-carboxamide, N-(TERT-BUTYL)-4-CHLORO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Technical Specifications
| Molecular Formula | C10H13ClF3N3O |
| Molecular Weight | 283.06992 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.06992 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | CC(C)(C)NC(=O)C1=C(C(=NN1C)C(F)(F)F)Cl |
| InChIKey | RPMQZCHVXQRGHL-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Property Insights of N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide. With a topological polar surface area (TPSA) of 46.9 Ų, N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The CAS number of N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 1005656-15-4.
What is the molecular formula of N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular formula of N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is C10H13ClF3N3O.
What is the molecular weight of N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular weight of N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 283.06992 g/mol.
Where can I buy N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
You can request a quote for N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.