![1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide structure](/static/products/956/956959-91-4.png)
1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
TL;DR: 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 956959-91-4) is a chemical compound with molecular formula C18H21F3N4O2 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 1-methyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]-3-(trifluoromethyl)pyrazole-4-carboxamide, 4-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]formamido}-N-[(4-methylphenyl)methyl]butanamide, 1-METHYL-N-(4-[(4-METHYLBENZYL)AMINO]-4-OXOBUTYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXAMIDE, 4-{[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]formamido}-N-[(4-methylphenyl)methyl]butanamide
| Molecular Formula | C18H21F3N4O2 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 2.57372 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.16165 |
| Heavy Atoms | 27 |
| Complexity | 797.92834 |
Chemical Identifiers
| CAS Number | 956959-91-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CCCNC(=O)C2=CN(N=C2C(F)(F)F)C |
Product Overview
1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 956959-91-4), with molecular formula C18H21F3N4O2 and molecular weight 382.16 g/mol. IUPAC: 1-methyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Property Insights of 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
The XLogP value of 2.57372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide. Following Lipinski's Rule of Five, 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide has 2 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 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The CAS number of 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 956959-91-4.
What is the molecular formula of 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular formula of 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C18H21F3N4O2.
What is the molecular weight of 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular weight of 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 382.16 g/mol.
Where can I buy 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
You can request a quote for 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(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-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-{4-[(4-methylbenzyl)amino]-4-oxobutyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.