N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8016-8455 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 341.37 |
| Molecular Formula: | C17 H19 N5 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2ccc(CC#N)cc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8631 |
| logD: | 0.8631 |
| logSw: | -2.0512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.919 |
| InChI Key: | NCPZPCWPTHRHBI-UHFFFAOYSA-N |