![2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone structure](/static/products/1005/1005644-19-8.webp)
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
TL;DR: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CAS 1005644-19-8) is a chemical compound with molecular formula C16H16BrF3N4O3 and molecular weight 448.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
Also Known As: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone, 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone
| Molecular Formula | C16H16BrF3N4O3 |
|---|---|
| Molecular Weight | 448.04 g/mol |
| LogP | 2.55042 |
| Topological Polar Surface Area | 71.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.0358 |
| Heavy Atoms | 27 |
| Complexity | 839.95795 |
Chemical Identifiers
| CAS Number | 1005644-19-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C(F)(F)F)Br |
Product Overview
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CAS 1005644-19-8), with molecular formula C16H16BrF3N4O3 and molecular weight 448.04 g/mol. IUPAC: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
Chemical Property Profile of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
Property Insights of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
The XLogP value of 2.55042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone. The TPSA of 71.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has 0 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 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The CAS number of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is 1005644-19-8.
What is the molecular formula of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The molecular formula of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is C16H16BrF3N4O3.
What is the molecular weight of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The molecular weight of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is 448.04 g/mol.
Where can I buy 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
You can request a quote for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-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 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.