![5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide structure](/static/products/3215/321553-39-3.webp)
5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
TL;DR: 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-39-3) is a chemical compound with molecular formula C20H17ClF3N3O2S and molecular weight 455.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 5-[(2-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide, 5-{[(2-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
| Molecular Formula | C20H17ClF3N3O2S |
|---|---|
| Molecular Weight | 455.07 g/mol |
| LogP | 5.6455 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.0682 |
| Heavy Atoms | 30 |
| Complexity | 1052.4406 |
Chemical Identifiers
| CAS Number | 321553-39-3 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)SCC3=CC=CC=C3Cl |
Product Overview
5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-39-3), with molecular formula C20H17ClF3N3O2S and molecular weight 455.07 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Property Insights of 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
The XLogP value of 5.6455 indicates that 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(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 56.15 Ų, 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The CAS number of 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 321553-39-3.
What is the molecular formula of 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular formula of 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C20H17ClF3N3O2S.
What is the molecular weight of 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular weight of 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 455.07 g/mol.
Where can I buy 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
You can request a quote for 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-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 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.