1-Phenyl-3-(trichloromethyl)pyrazole
TL;DR: 1-Phenyl-3-(trichloromethyl)pyrazole (CAS 83959-41-5) is a chemical compound with molecular formula C10H7Cl3N2 and molecular weight 259.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(trichloromethyl)pyrazole
Also Known As: 1-phenyl-3-(trichloromethyl)pyrazole, 1-phenyl-3-(trichloromethyl)-1H-pyrazole, 662-382-0, RefChem:435623
| Molecular Formula | C10H7Cl3N2 |
|---|---|
| Molecular Weight | 259.97 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.96747 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 83959-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CC(=N2)C(Cl)(Cl)Cl |
| InChIKey | PDEMFAXJHHSQET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-(trichloromethyl)pyrazole (CAS 83959-41-5), with molecular formula C10H7Cl3N2 and molecular weight 259.97 g/mol. IUPAC: 1-phenyl-3-(trichloromethyl)pyrazole.
Chemical Property Profile of 1-Phenyl-3-(trichloromethyl)pyrazole
Property Insights of 1-Phenyl-3-(trichloromethyl)pyrazole
The XLogP value of 3.5 indicates that 1-Phenyl-3-(trichloromethyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 1-Phenyl-3-(trichloromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-(trichloromethyl)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-Phenyl-3-(trichloromethyl)pyrazole?
The CAS number of 1-Phenyl-3-(trichloromethyl)pyrazole is 83959-41-5.
What is the molecular formula of 1-Phenyl-3-(trichloromethyl)pyrazole?
The molecular formula of 1-Phenyl-3-(trichloromethyl)pyrazole is C10H7Cl3N2.
What is the molecular weight of 1-Phenyl-3-(trichloromethyl)pyrazole?
The molecular weight of 1-Phenyl-3-(trichloromethyl)pyrazole is 259.97 g/mol.
Where can I buy 1-Phenyl-3-(trichloromethyl)pyrazole?
You can request a quote for 1-Phenyl-3-(trichloromethyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(trichloromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(trichloromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.