3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile
TL;DR: 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile (CAS 1003993-02-9) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-ethyl-3-methylpyrazol-4-yl)-3-oxopropanenitrile
Also Known As: 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile, 3-(1-ethyl-3-methylpyrazol-4-yl)-3-oxopropanenitrile, 3-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxo-propionitrile, 3-(1-ethyl-3-methyl-pyrazol-4-yl)-3-oxo-propanenitrile, 2-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-2-OXOETHYL CYANIDE
Technical Specifications
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.09021 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.09021 Da |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
| SMILES | CCN1C=C(C(=N1)C)C(=O)CC#N |
| InChIKey | JRKFADHZJKUUBY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile
Property Insights of 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 58.7 Ų, 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile has 0 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 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile?
The CAS number of 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile is 1003993-02-9.
What is the molecular formula of 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile?
The molecular formula of 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile is C9H11N3O.
What is the molecular weight of 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile?
The molecular weight of 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile is 177.09021 g/mol.
Where can I buy 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile?
You can request a quote for 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.