5-methyl-4-[(4-nitroanilino)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-[(4-nitroanilino)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-[(4-nitroanilino)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8006-2498 |
| Compound Name: | 5-methyl-4-[(4-nitroanilino)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C17 H14 N4 O3 |
| Smiles: | CC1\C(=C/Nc2ccc(cc2)[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0759 |
| logD: | 3.0665 |
| logSw: | -3.4927 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.569 |
| InChI Key: | GJKUANGADYXLQC-UHFFFAOYSA-N |