1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone
TL;DR: 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone (CAS 79583-19-0) is a chemical compound with molecular formula C7H9BrN2O and molecular weight 215.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-1-ethylpyrazol-5-yl)ethanone
Also Known As: 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone, 1-(4-bromo-2-ethylpyrazol-3-yl)ethanone, 5-acetyl-4-bromo-1-ethylpyrazole, 1-(4-Bromo-2-ethyl-2H-pyrazol-3-yl)ethanone, 1-Methyl-1H-pyrazole-4-carbonyl chloride
| Molecular Formula | C7H9BrN2O |
|---|---|
| Molecular Weight | 215.99 g/mol |
| LogP | 1.8681 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.98982 |
| Heavy Atoms | 11 |
| Complexity | 279.968 |
Chemical Identifiers
| CAS Number | 79583-19-0 |
|---|---|
| SMILES | CCN1C(=C(C=N1)Br)C(=O)C |
Product Overview
1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone (CAS 79583-19-0), with molecular formula C7H9BrN2O and molecular weight 215.99 g/mol. IUPAC: 1-(4-bromo-1-ethylpyrazol-5-yl)ethanone.
Chemical Property Profile of 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone
Property Insights of 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone
The XLogP value of 1.8681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromo-1-ethyl-1H-pyrazol-5-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-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone?
The CAS number of 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone is 79583-19-0.
What is the molecular formula of 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone?
The molecular formula of 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone is C7H9BrN2O.
What is the molecular weight of 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone?
The molecular weight of 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone is 215.99 g/mol.
Where can I buy 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone?
You can request a quote for 1-(4-bromo-1-ethyl-1H-pyrazol-5-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-1-ethyl-1H-pyrazol-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.