3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile
TL;DR: 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile (CAS 477709-75-4) is a chemical compound with molecular formula C13H18N4O and molecular weight 246.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile, (Z)-3-(dimethylamino)-2-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-propenenitrile, 3-(dimethylamino)-2-(4-ethyl-3,5-dimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C13H18N4O |
|---|---|
| Molecular Weight | 246.15 g/mol |
| LogP | 1.67162 |
| Topological Polar Surface Area | 61.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.14806 |
| Heavy Atoms | 18 |
| Complexity | 531.9215 |
Chemical Identifiers
| CAS Number | 477709-75-4 |
|---|---|
| SMILES | CCC1=C(N(N=C1C)C(=O)C(=CN(C)C)C#N)C |
Product Overview
3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile (CAS 477709-75-4), with molecular formula C13H18N4O and molecular weight 246.15 g/mol. IUPAC: 3-(dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile
Property Insights of 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile
The XLogP value of 1.67162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile. The TPSA of 61.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile 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 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile is 477709-75-4.
What is the molecular formula of 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile is C13H18N4O.
What is the molecular weight of 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile is 246.15 g/mol.
Where can I buy 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(4-ethyl-3,5-dimethylpyrazole-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.