4-hydroxy-5-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)benzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-hydroxy-5-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)benzene-1,2-dicarbonitrile
4-hydroxy-5-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)benzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-7905 |
| Compound Name: | 4-hydroxy-5-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)benzene-1,2-dicarbonitrile |
| Molecular Weight: | 240.22 |
| Molecular Formula: | C12 H8 N4 O2 |
| Smiles: | CC1=C(C(NN1)=O)c1cc(C#N)c(C#N)cc1O |
| Stereo: | ACHIRAL |
| logP: | 0.7868 |
| logD: | 0.0417 |
| logSw: | -1.8078 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.581 |
| InChI Key: | GERVTQRCRYPTEO-UHFFFAOYSA-N |