5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
TL;DR: 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile (CAS 318517-76-9) is a chemical compound with molecular formula C13H10F3N3O2S and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: 6F-308S, 5-benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile, 5-(benzylsulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 1-methyl-5-phenylmethanesulfonyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 1-Methyl-5-(phenylmethanesulfonyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C13H10F3N3O2S |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 2.28448 |
| Topological Polar Surface Area | 75.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0446 |
| Heavy Atoms | 22 |
| Complexity | 833.89575 |
Chemical Identifiers
| CAS Number | 318517-76-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)S(=O)(=O)CC2=CC=CC=C2 |
Product Overview
5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile (CAS 318517-76-9), with molecular formula C13H10F3N3O2S and molecular weight 329.04 g/mol. IUPAC: 5-benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Property Insights of 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
The XLogP value of 2.28448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile. The TPSA of 75.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile has 0 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-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The CAS number of 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is 318517-76-9.
What is the molecular formula of 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The molecular formula of 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is C13H10F3N3O2S.
What is the molecular weight of 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The molecular weight of 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is 329.04 g/mol.
Where can I buy 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
You can request a quote for 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylsulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.