2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
TL;DR: 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (CAS 122431-40-7) is a chemical compound with molecular formula C10H6F3N3O3 and molecular weight 273.03613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one, 1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol, 2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, 2-(4-nitrophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one, 1-(4-nitrophenyl)-3-trifluoromethyl-5-hydroxypyrazole
Technical Specifications
| Molecular Formula | C10H6F3N3O3 |
| Molecular Weight | 273.03613 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.03613 Da |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
| SMILES | C1=CC(=CC=C1N2C(=O)C=C(N2)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | CWRUNTKWRFYRDC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Property Insights of 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The CAS number of 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is 122431-40-7.
What is the molecular formula of 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The molecular formula of 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is C10H6F3N3O3.
What is the molecular weight of 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The molecular weight of 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is 273.03613 g/mol.
Where can I buy 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
You can request a quote for 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.