N-(4-cyanophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(4-cyanophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0247 |
| Compound Name: | N-(4-cyanophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 327.34 |
| Molecular Formula: | C16 H17 N5 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2ccc(C#N)cc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0849 |
| logD: | 1.0832 |
| logSw: | -2.1812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.484 |
| InChI Key: | XDLUIDBVVJUKTB-UHFFFAOYSA-N |