3-Phenyl-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole (CAS 4027-54-7) is a chemical compound with molecular formula C10H7F3N2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-(trifluoromethyl)-1H-pyrazole
Also Known As: 5-phenyl-3-(trifluoromethyl)pyrazole, 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole, 5-Phenyl-3-(trifluoromethyl)-1H-pyrazole, Maybridge1_002434, MixCom6_000922
| Molecular Formula | C10H7F3N2 |
|---|---|
| Molecular Weight | 212.06 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 | 212.05614 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 4027-54-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C(F)(F)F |
| InChIKey | KJKWJOAARUHGNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-5-(trifluoromethyl)-1H-pyrazole (CAS 4027-54-7), with molecular formula C10H7F3N2 and molecular weight 212.06 g/mol. IUPAC: 3-phenyl-5-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-(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 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole is 4027-54-7.
What is the molecular formula of 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole is C10H7F3N2.
What is the molecular weight of 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole is 212.06 g/mol.
Where can I buy 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 3-Phenyl-5-(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 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.