5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole (CAS 150433-22-0) is a chemical compound with molecular formula C8H11F3N2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole
Also Known As: 5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole, 5-tert-butyl-3-(trifluoromethyl)-1H-pyrazole, 3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole, 1,11-Dibromoundecane, Maybridge1_004343
| Molecular Formula | C8H11F3N2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.08743 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 150433-22-0 |
|---|---|
| SMILES | CC(C)(C)C1=NNC(=C1)C(F)(F)F |
| InChIKey | YIEPWAOKLZRBEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole (CAS 150433-22-0), with molecular formula C8H11F3N2 and molecular weight 192.09 g/mol. IUPAC: 3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole has 1 hydrogen bond donor(s) and 4 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 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole is 150433-22-0.
What is the molecular formula of 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole is C8H11F3N2.
What is the molecular weight of 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole is 192.09 g/mol.
Where can I buy 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 5-tert-Butyl-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 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.