3,5-Bis(trifluoromethyl)pyrazole
TL;DR: 3,5-Bis(trifluoromethyl)pyrazole (CAS 14704-41-7) is a chemical compound with molecular formula C5H2F6N2 and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(trifluoromethyl)-1H-pyrazole
Also Known As: 3,5-Bis(trifluoromethyl)-1H-pyrazole, 3,5-Bis(trifluoromethyl)pyrazole, 1H-Pyrazole, 3,5-bis(trifluoromethyl)-, 3,5-Bis-trifluoromethyl-1H-pyrazole, bis(trifluoromethyl)pyrazole
| Molecular Formula | C5H2F6N2 |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.01222 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 14704-41-7 |
|---|---|
| SMILES | C1=C(NN=C1C(F)(F)F)C(F)(F)F |
| InChIKey | NGDDUAYSWPUSLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(trifluoromethyl)pyrazole (CAS 14704-41-7), with molecular formula C5H2F6N2 and molecular weight 204.01 g/mol. IUPAC: 3,5-bis(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)pyrazole
Property Insights of 3,5-Bis(trifluoromethyl)pyrazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(trifluoromethyl)pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3,5-Bis(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)pyrazole has 1 hydrogen bond donor(s) and 7 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 3,5-Bis(trifluoromethyl)pyrazole?
The CAS number of 3,5-Bis(trifluoromethyl)pyrazole is 14704-41-7.
What is the molecular formula of 3,5-Bis(trifluoromethyl)pyrazole?
The molecular formula of 3,5-Bis(trifluoromethyl)pyrazole is C5H2F6N2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)pyrazole?
The molecular weight of 3,5-Bis(trifluoromethyl)pyrazole is 204.01 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)pyrazole?
You can request a quote for 3,5-Bis(trifluoromethyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.