N-(4-cyanophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(4-cyanophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0134 |
| Compound Name: | N-(4-cyanophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 313.31 |
| Molecular Formula: | C15 H15 N5 O3 |
| Smiles: | Cc1cc(nn1CCCC(Nc1ccc(C#N)cc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8258 |
| logD: | 0.8241 |
| logSw: | -2.1422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.196 |
| InChI Key: | GOMRSILKVDSXIG-UHFFFAOYSA-N |