1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
TL;DR: 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 956370-20-0) is a chemical compound with molecular formula C17H20F3N3O and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 1-tert-butyl-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide, 9X-5003, 1-tert-butyl-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, N-[(4-methylphenyl)methyl]-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
| Molecular Formula | C17H20F3N3O |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 3.89532 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.15585 |
| Heavy Atoms | 24 |
| Complexity | 725.01953 |
Chemical Identifiers
| CAS Number | 956370-20-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2=C(N(N=C2)C(C)(C)C)C(F)(F)F |
Product Overview
1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 956370-20-0), with molecular formula C17H20F3N3O and molecular weight 339.16 g/mol. IUPAC: 1-tert-butyl-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Property Insights of 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
The XLogP value of 3.89532 indicates that 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-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, 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has 1 hydrogen bond donor(s) and 2 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 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The CAS number of 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 956370-20-0.
What is the molecular formula of 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular formula of 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C17H20F3N3O.
What is the molecular weight of 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular weight of 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 339.16 g/mol.
Where can I buy 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
You can request a quote for 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.