1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
TL;DR: 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one (CAS 122431-38-3) is a chemical compound with molecular formula C10H6ClF3N2O and molecular weight 262.0121 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
Also Known As: 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, 2-(4-chlorophenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one, 1-(4-chlorophenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 11E-380S, 1-(4-chlorophenyl)-3-(trifluoromethyl)-2-pyrazolin-5-one
Technical Specifications
| Molecular Formula | C10H6ClF3N2O |
| Molecular Weight | 262.0121 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.0121 Da |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| SMILES | C1C(=NN(C1=O)C2=CC=C(C=C2)Cl)C(F)(F)F |
| InChIKey | VYCNIYYTYDWCCK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
Property Insights of 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
The XLogP value of 3.0 indicates that 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
The CAS number of 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one is 122431-38-3.
What is the molecular formula of 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
The molecular formula of 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one is C10H6ClF3N2O.
What is the molecular weight of 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
The molecular weight of 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one is 262.0121 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
You can request a quote for 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.