3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile
TL;DR: 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile (CAS 477710-15-9) is a chemical compound with molecular formula C12H16N4O and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(3,4,5-trimethylpyrazole-1-carbonyl)prop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile, (E)-3-(dimethylamino)-2-[(3,4,5-trimethyl-1H-pyrazol-1-yl)carbonyl]-2-propenenitrile, 3-(dimethylamino)-2-(3,4,5-trimethylpyrazole-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C12H16N4O |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.41764 |
| Topological Polar Surface Area | 61.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.13242 |
| Heavy Atoms | 17 |
| Complexity | 517.3433 |
Chemical Identifiers
| CAS Number | 477710-15-9 |
|---|---|
| SMILES | CC1=C(N(N=C1C)C(=O)C(=CN(C)C)C#N)C |
Product Overview
3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile (CAS 477710-15-9), with molecular formula C12H16N4O and molecular weight 232.13 g/mol. IUPAC: 3-(dimethylamino)-2-(3,4,5-trimethylpyrazole-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile
Property Insights of 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile
The XLogP value of 1.41764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-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-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-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-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile is 477710-15-9.
What is the molecular formula of 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile is C12H16N4O.
What is the molecular weight of 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile is 232.13 g/mol.
Where can I buy 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-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-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(dimethylamino)-2-(3,4,5-trimethyl-1H-pyrazole-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.