1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime
TL;DR: 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime (CAS 1005585-68-1) is a chemical compound with molecular formula C8H13N3O and molecular weight 167.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(NZ)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylidene]hydroxylamine
Also Known As: 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime, (NZ)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylidene]hydroxylamine
Technical Specifications
| Molecular Formula | C8H13N3O |
| Molecular Weight | 167.10587 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.10587 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CCN1C(=C(C=N1)/C(=N\O)/C)C |
| InChIKey | YZFRGZKVYQWTDW-POHAHGRESA-N |
Chemical Property Profile of 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime
Property Insights of 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime. With a topological polar surface area (TPSA) of 50.4 Ų, 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime?
The CAS number of 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime is 1005585-68-1.
What is the molecular formula of 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime?
The molecular formula of 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime is C8H13N3O.
What is the molecular weight of 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime?
The molecular weight of 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime is 167.10587 g/mol.
Where can I buy 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime?
You can request a quote for 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime?
Yes, CoreyChem provides custom synthesis services for 1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.