1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole (CAS 648427-19-4) is a chemical compound with molecular formula C5H5F3N2O2S and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-3-(trifluoromethyl)pyrazole
Also Known As: 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole, 1-methylsulfonyl-3-(trifluoromethyl)pyrazole, 1-(methylsulfonyl)-3-(trifluoromethyl)-1h-pyrazole, 1-methanesulfonyl-3-(trifluoromethyl)pyrazole, 1-(methylsulfonyl)-3-(trifluoromethyl)pyrazole
| Molecular Formula | C5H5F3N2O2S |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 0.7096 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.00238 |
| Heavy Atoms | 13 |
| Complexity | 405.65915 |
Chemical Identifiers
| CAS Number | 648427-19-4 |
|---|---|
| SMILES | CS(=O)(=O)N1C=CC(=N1)C(F)(F)F |
Product Overview
1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole (CAS 648427-19-4), with molecular formula C5H5F3N2O2S and molecular weight 214.00 g/mol. IUPAC: 1-methylsulfonyl-3-(trifluoromethyl)pyrazole.
Chemical Property Profile of 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 0.7096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 51.96 Ų, 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole is 648427-19-4.
What is the molecular formula of 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole is C5H5F3N2O2S.
What is the molecular weight of 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole is 214.00 g/mol.
Where can I buy 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(methylsulphonyl)-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.