1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime
TL;DR: 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime (CAS 1003993-53-0) is a chemical compound with molecular formula C7H11N3O and molecular weight 153.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-[1-(1,3-dimethylpyrazol-4-yl)ethylidene]hydroxylamine
Also Known As: 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime, (1E)-1-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)ETHANONE OXIME, (NZ)-N-[1-(1,3-dimethylpyrazol-4-yl)ethylidene]hydroxylamine, Ethanone, 1-(1,3-dimethyl-1H-pyrazol-4-yl)-, oxime, (1Z)-
| Molecular Formula | C7H11N3O |
|---|---|
| Molecular Weight | 153.09 g/mol |
| LogP | 0.92672 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.09021 |
| Heavy Atoms | 11 |
| Complexity | 287.87582 |
Chemical Identifiers
| CAS Number | 1003993-53-0 |
|---|---|
| SMILES | CC1=NN(C=C1/C(=N\O)/C)C |
Product Overview
1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime (CAS 1003993-53-0), with molecular formula C7H11N3O and molecular weight 153.09 g/mol. IUPAC: (NZ)-N-[1-(1,3-dimethylpyrazol-4-yl)ethylidene]hydroxylamine.
Chemical Property Profile of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime
Property Insights of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime
The XLogP value of 0.92672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime. With a topological polar surface area (TPSA) of 50.41 Ų, 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Dimethyl-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
Frequently Asked Questions
What is the CAS number of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime?
The CAS number of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime is 1003993-53-0.
What is the molecular formula of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime?
The molecular formula of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime is C7H11N3O.
What is the molecular weight of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime?
The molecular weight of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime is 153.09 g/mol.
Where can I buy 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime?
You can request a quote for 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Dimethyl-1H-pyrazol-4-yl)ethanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.