N-[4-(cyanomethyl)phenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-[4-(cyanomethyl)phenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8015-6670 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 285.26 |
| Molecular Formula: | C13 H11 N5 O3 |
| Smiles: | C(C#N)c1ccc(cc1)NC(Cn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9745 |
| logD: | 0.9745 |
| logSw: | -2.3094 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.767 |
| InChI Key: | GQEOFKAOYJSQIW-UHFFFAOYSA-N |