5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole
TL;DR: 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole (CAS 111079-04-0) is a chemical compound with molecular formula C11H9F3N2 and molecular weight 226.07178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole
Also Known As: 5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole, 2,2,5-trichlorobiphenyl, 1-Phenyl-5-methyl-3-(trifluoromethyl)pyrazole, 5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole, 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE
Technical Specifications
| Molecular Formula | C11H9F3N2 |
| Molecular Weight | 226.07178 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.07178 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| SMILES | CC1=CC(=NN1C2=CC=CC=C2)C(F)(F)F |
| InChIKey | LCAPJOUZZHOYRU-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole
Property Insights of 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole
The XLogP value of 3.2 indicates that 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole 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
What is the CAS number of 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
The CAS number of 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole is 111079-04-0.
What is the molecular formula of 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
The molecular formula of 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole is C11H9F3N2.
What is the molecular weight of 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
The molecular weight of 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole is 226.07178 g/mol.
Where can I buy 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
You can request a quote for 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-1-phenyl-3-(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.