{[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}propanedinitrile
Chemical Structure Depiction of
{[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}propanedinitrile
{[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}propanedinitrile
Compound characteristics
| Compound ID: | Y502-1026 |
| Compound Name: | {[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}propanedinitrile |
| Molecular Weight: | 254.68 |
| Molecular Formula: | C13 H7 Cl N4 |
| Smiles: | C(=C(C#N)C#N)c1c[nH]nc1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8024 |
| logD: | 2.8024 |
| logSw: | -3.5854 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.541 |
| InChI Key: | FPTFCTAQONQGHW-UHFFFAOYSA-N |