3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole (CAS 219986-65-9) is a chemical compound with molecular formula C10H6BrF3N2 and molecular weight 289.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
Also Known As: 3-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazole, 5-(4-Bromophenyl)-3-trifluoromethyl-1H-pyrazole, 5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazole, 5-trifluoromethyl-3-p-tolyl-1H-pyrazole, 5-(4-bromophenyl)-3-(trifluoromethyl)pyrazole
| Molecular Formula | C10H6BrF3N2 |
|---|---|
| Molecular Weight | 289.97 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.96664 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 219986-65-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C(F)(F)F)Br |
| InChIKey | IJXYMIRDVATCHK-UHFFFAOYSA-N |
Product Overview
3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole (CAS 219986-65-9), with molecular formula C10H6BrF3N2 and molecular weight 289.97 g/mol. IUPAC: 3-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 3.5 indicates that 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-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-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole is 219986-65-9.
What is the molecular formula of 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole is C10H6BrF3N2.
What is the molecular weight of 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole is 289.97 g/mol.
Where can I buy 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 3-(4-Bromophenyl)-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-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.