477710-15-9
Product Name:
(E)-3-(DIMETHYLAMINO)-2-[(3,4,5-TRIMETHYL-1H-PYRAZOL-1-YL)CARBONYL]-2-PROPENENITRILE
Formula:
C12H16N4O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >34.8 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 232.28 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 232.13241115 g/mol |
| Monoisotopic Mass | 232.13241115 g/mol |
| Topological Polar Surface Area | 61.9 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 379 |
| 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 |