1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole
TL;DR: 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole (CAS 96256-50-7) is a chemical compound with molecular formula C11H9F3N2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole
Also Known As: Maybridge3_006652, IDI1_018039, 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole, 3-trifluoromethyl-1-methyl-4-phenylpyrazole, 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole
| Molecular Formula | C11H9F3N2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 3.1059 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.07178 |
| Heavy Atoms | 16 |
| Complexity | 485.67593 |
Chemical Identifiers
| CAS Number | 96256-50-7 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(F)(F)F)C2=CC=CC=C2 |
Product Overview
1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole (CAS 96256-50-7), with molecular formula C11H9F3N2 and molecular weight 226.07 g/mol. IUPAC: 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole.
Chemical Property Profile of 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole
Property Insights of 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole
The XLogP value of 3.1059 indicates that 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-4-phenyl-3-trifluoromethyl-1H-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-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole?
The CAS number of 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole is 96256-50-7.
What is the molecular formula of 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole?
The molecular formula of 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole is C11H9F3N2.
What is the molecular weight of 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole?
The molecular weight of 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole is 226.07 g/mol.
Where can I buy 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole?
You can request a quote for 1-methyl-4-phenyl-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-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.