4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3046-8107 |
| Compound Name: | 4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | CN(C)/C=C1/C(c2ccccc2)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1871 |
| logD: | 2.1869 |
| logSw: | -2.3784 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.293 |
| InChI Key: | JFMXGJMLYHUYNS-UHFFFAOYSA-N |