![1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone structure](/static/products/808/808764-23-0.png)
1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
TL;DR: 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 808764-23-0) is a chemical compound with molecular formula C7H6BrF3N2O and molecular weight 269.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: 1-acetyl-4-bromo-3-trifluoromethyl-5-methylpyrazole, 1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-Acetyl-4-bromo-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole, 1-Acetyl-4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole, 1-acetyl-4-bromo-3(5)-trifluoromethyl-5(3)-(methyl)pyrazole
| Molecular Formula | C7H6BrF3N2O |
|---|---|
| Molecular Weight | 269.96 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.96155 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 808764-23-0 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C)C(F)(F)F)Br |
| InChIKey | KLKPLRILKDZPGX-UHFFFAOYSA-N |
Product Overview
1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 808764-23-0), with molecular formula C7H6BrF3N2O and molecular weight 269.96 g/mol. IUPAC: 1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Property Insights of 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone. With a topological polar surface area (TPSA) of 34.9 Ų, 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone has 0 hydrogen bond donor(s) and 5 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-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The CAS number of 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is 808764-23-0.
What is the molecular formula of 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The molecular formula of 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is C7H6BrF3N2O.
What is the molecular weight of 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The molecular weight of 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is 269.96 g/mol.
Where can I buy 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
You can request a quote for 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.