N-[4-(cyanomethyl)phenyl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
N-[4-(cyanomethyl)phenyl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8015-6910 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 299.29 |
| Molecular Formula: | C14 H13 N5 O3 |
| Smiles: | Cc1cc(nn1CC(Nc1ccc(CC#N)cc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8733 |
| logD: | 0.8733 |
| logSw: | -2.3155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.654 |
| InChI Key: | BEOGDIDPQOGXBU-UHFFFAOYSA-N |