![N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide structure](/static/products/5148/514855-67-5.webp)
N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide
TL;DR: N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide (CAS 514855-67-5) is a chemical compound with molecular formula C15H16F3N3O and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
Also Known As: N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide, N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide, N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoro-acetamide
| Molecular Formula | C15H16F3N3O |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.35746 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.12454 |
| Heavy Atoms | 22 |
| Complexity | 687.29364 |
Chemical Identifiers
| CAS Number | 514855-67-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C(F)(F)F)C |
Product Overview
N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide (CAS 514855-67-5), with molecular formula C15H16F3N3O and molecular weight 311.12 g/mol. IUPAC: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide
Property Insights of N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide
The XLogP value of 3.35746 indicates that N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide 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 N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The CAS number of N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide is 514855-67-5.
What is the molecular formula of N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The molecular formula of N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide is C15H16F3N3O.
What is the molecular weight of N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The molecular weight of N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide is 311.12 g/mol.
Where can I buy N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide?
You can request a quote for N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.