3-oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
Chemical Structure Depiction of
3-oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
3-oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
Compound characteristics
| Compound ID: | Y507-4536 |
| Compound Name: | 3-oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile |
| Molecular Weight: | 177.2 |
| Molecular Formula: | C9 H11 N3 O |
| Smiles: | Cc1c(C(CC#N)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.4238 |
| logD: | -1.483 |
| logSw: | 0.2188 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.817 |
| InChI Key: | KGNFWMCFDNESHB-UHFFFAOYSA-N |