![5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one structure](/static/products/4000/400075-07-2.webp)
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
TL;DR: 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CAS 400075-07-2) is a chemical compound with molecular formula C17H13F3N2O and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
Also Known As: 11E-410S, 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one, 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrazol-3-one, 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C17H13F3N2O |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 4.15982 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.098 |
| Heavy Atoms | 23 |
| Complexity | 892.1922 |
Chemical Identifiers
| CAS Number | 400075-07-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CAS 400075-07-2), with molecular formula C17H13F3N2O and molecular weight 318.10 g/mol. IUPAC: 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.
Chemical Property Profile of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
Property Insights of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
The XLogP value of 4.15982 indicates that 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has 1 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 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The CAS number of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is 400075-07-2.
What is the molecular formula of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The molecular formula of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is C17H13F3N2O.
What is the molecular weight of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The molecular weight of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is 318.10 g/mol.
Where can I buy 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
You can request a quote for 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.