1-Phenyl-3-(trifluoromethyl)pyrazole
TL;DR: 1-Phenyl-3-(trifluoromethyl)pyrazole (CAS 99498-65-4) is a chemical compound with molecular formula C10H7F3N2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(trifluoromethyl)pyrazole
Also Known As: 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole, 1-phenyl-3-(trifluoromethyl)pyrazole, 1-phenyl-3-trifluoromethylpyrazole, 1H-Pyrazole, 1-phenyl-3-(trifluoromethyl)-, 3-(Trifluoromethyl)-1-phenyl-1H-pyrazole
| Molecular Formula | C10H7F3N2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.8911 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.05614 |
| Heavy Atoms | 15 |
| Complexity | 445.1911 |
Chemical Identifiers
| CAS Number | 99498-65-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CC(=N2)C(F)(F)F |
Product Overview
1-Phenyl-3-(trifluoromethyl)pyrazole (CAS 99498-65-4), with molecular formula C10H7F3N2 and molecular weight 212.06 g/mol. IUPAC: 1-phenyl-3-(trifluoromethyl)pyrazole.
Chemical Property Profile of 1-Phenyl-3-(trifluoromethyl)pyrazole
Property Insights of 1-Phenyl-3-(trifluoromethyl)pyrazole
The XLogP value of 2.8911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-(trifluoromethyl)pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 1-Phenyl-3-(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-(trifluoromethyl)pyrazole has 0 hydrogen bond donor(s) and 1 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-Phenyl-3-(trifluoromethyl)pyrazole?
The CAS number of 1-Phenyl-3-(trifluoromethyl)pyrazole is 99498-65-4.
What is the molecular formula of 1-Phenyl-3-(trifluoromethyl)pyrazole?
The molecular formula of 1-Phenyl-3-(trifluoromethyl)pyrazole is C10H7F3N2.
What is the molecular weight of 1-Phenyl-3-(trifluoromethyl)pyrazole?
The molecular weight of 1-Phenyl-3-(trifluoromethyl)pyrazole is 212.06 g/mol.
Where can I buy 1-Phenyl-3-(trifluoromethyl)pyrazole?
You can request a quote for 1-Phenyl-3-(trifluoromethyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(trifluoromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.