1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole
TL;DR: 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole (CAS 134947-25-4) is a chemical compound with molecular formula C12H6F6N2O and molecular weight 308.03842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone
Also Known As: 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole, 2-Octen-4-ol, 1-BENZOYL-3,5-BIS PYRAZOLE, [3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone, 1-benzoyl-3,5-bis(trifluoromethyl)-1H-pyrazole
Technical Specifications
| Molecular Formula | C12H6F6N2O |
| Molecular Weight | 308.03842 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.03842 Da |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
| SMILES | C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F |
| InChIKey | UESSAXBXORIGDD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole
Property Insights of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole
The XLogP value of 3.6 indicates that 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole has 0 hydrogen bond donor(s) and 8 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-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
The CAS number of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is 134947-25-4.
What is the molecular formula of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
The molecular formula of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is C12H6F6N2O.
What is the molecular weight of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
The molecular weight of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is 308.03842 g/mol.
Where can I buy 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
You can request a quote for 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
Yes, CoreyChem provides custom synthesis services for 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.