4-[(2-ethylanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2-ethylanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(2-ethylanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3030 |
| Compound Name: | 4-[(2-ethylanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 404.35 |
| Molecular Formula: | C19 H15 F3 N4 O3 |
| Smiles: | CCc1ccccc1N/C=C1/C(C(F)(F)F)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3614 |
| logD: | 4.3568 |
| logSw: | -4.2575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.698 |
| InChI Key: | NQKMSAMOKOBJJM-UHFFFAOYSA-N |