N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8015-6671 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 313.31 |
| Molecular Formula: | C15 H15 N5 O3 |
| Smiles: | C(CC(Nc1ccc(CC#N)cc1)=O)Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5215 |
| logD: | 0.5215 |
| logSw: | -2.023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.745 |
| InChI Key: | CTTKOXRXMCAKMH-UHFFFAOYSA-N |