4-[(3-chloro-2-methylanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3-chloro-2-methylanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(3-chloro-2-methylanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3705 |
| Compound Name: | 4-[(3-chloro-2-methylanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 424.76 |
| Molecular Formula: | C18 H12 Cl F3 N4 O3 |
| Smiles: | Cc1c(cccc1[Cl])N/C=C1/C(C(F)(F)F)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6777 |
| logD: | 4.3314 |
| logSw: | -4.8442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.698 |
| InChI Key: | WBMFXCIZGNTSKO-UHFFFAOYSA-N |