![4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one structure](/static/products/4000/400076-59-7.webp)
4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
TL;DR: 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CAS 400076-59-7) is a chemical compound with molecular formula C17H12ClF3N2O and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
Also Known As: 12E-314S, 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one, 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrazol-3-one, 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C17H12ClF3N2O |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 4.81322 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.05902 |
| Heavy Atoms | 24 |
| Complexity | 956.9549 |
Chemical Identifiers
| CAS Number | 400076-59-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(F)(F)F)C3=CC(=CC=C3)Cl |
Product Overview
4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CAS 400076-59-7), with molecular formula C17H12ClF3N2O and molecular weight 352.06 g/mol. IUPAC: 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.
Chemical Property Profile of 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
Property Insights of 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
The XLogP value of 4.81322 indicates that 4-(3-chlorophenyl)-5-methyl-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, 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-chlorophenyl)-5-methyl-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 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The CAS number of 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is 400076-59-7.
What is the molecular formula of 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The molecular formula of 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is C17H12ClF3N2O.
What is the molecular weight of 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The molecular weight of 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is 352.06 g/mol.
Where can I buy 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
You can request a quote for 4-(3-chlorophenyl)-5-methyl-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 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.