1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole (CAS 256414-73-0) is a chemical compound with molecular formula C14H15F3N2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-phenyl-3-(trifluoromethyl)pyrazole
Also Known As: 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole, 1-tert-butyl-4-phenyl-3-(trifluoromethyl)pyrazole, 1-tert-butyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole, 1H-Pyrazole, 1-(1,1-dimethylethyl)-4-phenyl-3-(trifluoromethyl)-, 1-(1,1-Dimethylethyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole
| Molecular Formula | C14H15F3N2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 4.3239 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.11874 |
| Heavy Atoms | 19 |
| Complexity | 562.61237 |
Chemical Identifiers
| CAS Number | 256414-73-0 |
|---|---|
| SMILES | CC(C)(C)N1C=C(C(=N1)C(F)(F)F)C2=CC=CC=C2 |
Product Overview
1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole (CAS 256414-73-0), with molecular formula C14H15F3N2 and molecular weight 268.12 g/mol. IUPAC: 1-tert-butyl-4-phenyl-3-(trifluoromethyl)pyrazole.
Chemical Property Profile of 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 4.3239 indicates that 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole is 256414-73-0.
What is the molecular formula of 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole is C14H15F3N2.
What is the molecular weight of 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole is 268.12 g/mol.
Where can I buy 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-Butyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.