3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 683274-57-9) is a chemical compound with molecular formula C9H6BrF3N2S and molecular weight 309.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
Also Known As: 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole, 3-(5-Bromothien-2-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole, 3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole, 3-(5-Bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole, 3-(5-bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)pyrazole
| Molecular Formula | C9H6BrF3N2S |
|---|---|
| Molecular Weight | 309.94 g/mol |
| LogP | 3.9299 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.93872 |
| Heavy Atoms | 16 |
| Complexity | 515.0466 |
Chemical Identifiers
| CAS Number | 683274-57-9 |
|---|---|
| SMILES | CN1C(=CC(=N1)C2=CC=C(S2)Br)C(F)(F)F |
Product Overview
3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 683274-57-9), with molecular formula C9H6BrF3N2S and molecular weight 309.94 g/mol. IUPAC: 3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole.
Chemical Property Profile of 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 3.9299 indicates that 3-(5-Bromo-2-thienyl)-1-methyl-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 17.82 Ų, 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 2 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-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole is 683274-57-9.
What is the molecular formula of 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole is C9H6BrF3N2S.
What is the molecular weight of 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole is 309.94 g/mol.
Where can I buy 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 3-(5-Bromo-2-thienyl)-1-methyl-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-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.