3,5-Bis(trifluoromethyl)-1-phenylpyrazole
TL;DR: 3,5-Bis(trifluoromethyl)-1-phenylpyrazole (CAS 140647-19-4) is a chemical compound with molecular formula C11H6F6N2 and molecular weight 280.04352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-3,5-bis(trifluoromethyl)pyrazole
Also Known As: 3,5-Bis(trifluoromethyl)-1-phenylpyrazole, 1-phenyl-3,5-bis(trifluoromethyl)pyrazole, 1-Phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole, 1H-Pyrazole, 1-phenyl-3,5-bis(trifluoromethyl)-, 1H-Pyrazole,1-phenyl-3,5-bis(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C11H6F6N2 |
| Molecular Weight | 280.04352 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.04352 Da |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
| SMILES | C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F |
| InChIKey | IYNLHYNHSRWJHI-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole
Property Insights of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole
The XLogP value of 3.7 indicates that 3,5-Bis(trifluoromethyl)-1-phenylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 3,5-Bis(trifluoromethyl)-1-phenylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)-1-phenylpyrazole has 0 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 3,5-Bis(trifluoromethyl)-1-phenylpyrazole?
The CAS number of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole is 140647-19-4.
What is the molecular formula of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole?
The molecular formula of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole is C11H6F6N2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole?
The molecular weight of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole is 280.04352 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)-1-phenylpyrazole?
You can request a quote for 3,5-Bis(trifluoromethyl)-1-phenylpyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(trifluoromethyl)-1-phenylpyrazole?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(trifluoromethyl)-1-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.