5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
TL;DR: 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-38-2) is a chemical compound with molecular formula C20H18F3N3O2S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 5-benzylsulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
| Molecular Formula | C20H18F3N3O2S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 4.9921 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.10718 |
| Heavy Atoms | 29 |
| Complexity | 986.7012 |
Chemical Identifiers
| CAS Number | 321553-38-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)SCC3=CC=CC=C3 |
Product Overview
5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-38-2), with molecular formula C20H18F3N3O2S and molecular weight 421.11 g/mol. IUPAC: 5-benzylsulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Property Insights of 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
The XLogP value of 4.9921 indicates that 5-(benzylsulfanyl)-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-(benzylsulfanyl)-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-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide has 1 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 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The CAS number of 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 321553-38-2.
What is the molecular formula of 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular formula of 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C20H18F3N3O2S.
What is the molecular weight of 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular weight of 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 421.11 g/mol.
Where can I buy 5-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
You can request a quote for 5-(benzylsulfanyl)-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-(benzylsulfanyl)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfanyl)-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.