1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 321-07-3) is a chemical compound with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
Also Known As: 1-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one, 1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, Maybridge4_000200, 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one, Diisopropylammonium dichloroacetate
| Molecular Formula | C10H7F3N2O |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.05104 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 321-07-3 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F |
| InChIKey | GLGRRRKQSFURGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 321-07-3), with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol. IUPAC: 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one.
Chemical Property Profile of 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one. With a topological polar surface area (TPSA) of 32.7 Ų, 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-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
Frequently Asked Questions
What is the CAS number of 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one is 321-07-3.
What is the molecular formula of 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one is C10H7F3N2O.
What is the molecular weight of 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one is 228.05 g/mol.
Where can I buy 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.