1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
TL;DR: 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)- (CAS 122431-41-8) is a chemical compound with molecular formula C8H11F3N2O and molecular weight 208.08235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-, 2-tert-butyl-5-(trifluoromethyl)-1H-pyrazol-3-one, 1-tert-butyl-3-trifluoromethyl-1H-pyrazol-5-ol, 1-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol, 1-tert-butyl-5-hydroxy-3-trifluoromethyl-1H-pyrazole
Technical Specifications
| Molecular Formula | C8H11F3N2O |
| Molecular Weight | 208.08235 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.08235 Da |
| Heavy Atoms | 14 |
| Complexity | 288.0 |
| SMILES | CC(C)(C)N1C(=O)C=C(N1)C(F)(F)F |
| InChIKey | UYGXIUVQGMFJNI-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
Property Insights of 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 32.3 Ų, 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)- has 1 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 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-?
The CAS number of 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)- is 122431-41-8.
What is the molecular formula of 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-?
The molecular formula of 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)- is C8H11F3N2O.
What is the molecular weight of 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-?
The molecular weight of 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)- is 208.08235 g/mol.
Where can I buy 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-?
You can request a quote for 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazol-5-ol, 1-(1,1-dimethylethyl)-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.