N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2222-0729 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide |
| Molecular Weight: | 352.35 |
| Molecular Formula: | C18 H16 N4 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5433 |
| logD: | -0.1228 |
| logSw: | -2.0702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.092 |
| InChI Key: | WRLBLWGLQQXHBP-UHFFFAOYSA-N |