![1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone structure](/static/products/3554/355416-41-0.webp)
1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
TL;DR: 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 355416-41-0) is a chemical compound with molecular formula C13H18F3N3O and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: BAS 00414843, 1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}azepane, 1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone, 1-azaperhydroepinyl-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
| Molecular Formula | C13H18F3N3O |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 2.61292 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.1402 |
| Heavy Atoms | 20 |
| Complexity | 473.6962 |
Chemical Identifiers
| CAS Number | 355416-41-0 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)N2CCCCCC2)C(F)(F)F |
Product Overview
1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 355416-41-0), with molecular formula C13H18F3N3O and molecular weight 289.14 g/mol. IUPAC: 1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Property Insights of 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
The XLogP value of 2.61292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone. With a topological polar surface area (TPSA) of 38.13 Ų, 1-(Azepan-1-yl)-2-[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-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone 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 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The CAS number of 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is 355416-41-0.
What is the molecular formula of 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is C13H18F3N3O.
What is the molecular weight of 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is 289.14 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-[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-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.