![N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide structure](/static/products/956/956959-90-3.png)
N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
TL;DR: N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 956959-90-3) is a chemical compound with molecular formula C18H21F3N4O3 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4-methoxyphenyl)methylamino]-4-oxobutyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, N-[4-[(4-methoxyphenyl)methylamino]-4-oxobutyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide, N-[(4-methoxyphenyl)methyl]-4-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]formamido}butanamide, N-[(4-methoxyphenyl)methyl]-4-{[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]formamido}butanamide
| Molecular Formula | C18H21F3N4O3 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 2.2739 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1566 |
| Heavy Atoms | 28 |
| Complexity | 816.4736 |
Chemical Identifiers
| CAS Number | 956959-90-3 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(F)(F)F)C(=O)NCCCC(=O)NCC2=CC=C(C=C2)OC |
Product Overview
N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 956959-90-3), with molecular formula C18H21F3N4O3 and molecular weight 398.16 g/mol. IUPAC: N-[4-[(4-methoxyphenyl)methylamino]-4-oxobutyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Property Insights of N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
The XLogP value of 2.2739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide. Following Lipinski's Rule of Five, N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide has 2 hydrogen bond donor(s) and 4 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 N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The CAS number of N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 956959-90-3.
What is the molecular formula of N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular formula of N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C18H21F3N4O3.
What is the molecular weight of N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular weight of N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 398.16 g/mol.
Where can I buy N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
You can request a quote for N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-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 N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.