1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol
TL;DR: 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol (CAS 143706-69-8) 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-butyl-3-(trifluoromethyl)-1H-pyrazol-5-one
Also Known As: 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol, 1-butyl-5-(trifluoromethyl)-2H-pyrazol-3-one, 1-Butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol, AldrichCPR
Technical Specifications
| Molecular Formula | C8H11F3N2O |
| Molecular Weight | 208.08235 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.08235 Da |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
| SMILES | CCCCN1C(=CC(=O)N1)C(F)(F)F |
| InChIKey | BZIWAAXDWUELCP-UHFFFAOYSA-N |
Chemical Property Profile of 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol
Property Insights of 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol. With a topological polar surface area (TPSA) of 32.3 Ų, 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol 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 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol?
The CAS number of 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol is 143706-69-8.
What is the molecular formula of 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol?
The molecular formula of 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol is C8H11F3N2O.
What is the molecular weight of 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol?
The molecular weight of 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol is 208.08235 g/mol.
Where can I buy 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol?
You can request a quote for 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol?
Yes, CoreyChem provides custom synthesis services for 1-butyl-5-(trifluoromethyl)-1H-pyrazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.