4-[(benzylamino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(benzylamino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-[(benzylamino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8611 |
| Compound Name: | 4-[(benzylamino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C20 H21 N3 O |
| Smiles: | CC1\C(=C/NCc2ccccc2)C(N(c2ccc(C)c(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4634 |
| logD: | 3.4165 |
| logSw: | -3.6598 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.719 |
| InChI Key: | QWQLHPCGQRXSJM-UHFFFAOYSA-N |