5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 5646-1361 |
| Compound Name: | 5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C21 H22 N6 O4 |
| Smiles: | CC1=C(C#N)C(N(CCCO)C(C/1=N/NC1=C(C)N(C)N(C1=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0583 |
| logD: | -5.1061 |
| logSw: | -1.1549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.443 |
| InChI Key: | GDQJFIBRYODJPR-UHFFFAOYSA-N |