5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0685 |
| Compound Name: | 5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 334.33 |
| Molecular Formula: | C18 H14 N4 O3 |
| Smiles: | CC1/C(=C/c2c(C)nn(c3ccccc3)c2O)C(NC(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8419 |
| logD: | -0.6385 |
| logSw: | -1.9631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.544 |
| InChI Key: | BMOXYTGPOJOOCY-UHFFFAOYSA-N |