477709-75-4
Product Name:
(Z)-3-(DIMETHYLAMINO)-2-[(4-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-1-YL)CARBONYL]-2-PROPENENITRILE
Formula:
C13H18N4O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 21.8 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 246.31 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 246.14806121 g/mol |
| Monoisotopic Mass | 246.14806121 g/mol |
| Topological Polar Surface Area | 61.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 393 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |