4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-0012 |
| Compound Name: | 4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C15 H18 N4 O3 |
| Smiles: | CCCC1/C(=C/N(C)C)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9814 |
| logD: | 1.9805 |
| logSw: | -2.385 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.468 |
| InChI Key: | AEEVGUCYDLTPHK-UHFFFAOYSA-N |