N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 8013-2517 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 375.39 |
| Molecular Formula: | C20 H17 N5 O3 |
| Smiles: | Cc1cc(nn1Cc1ccc(cc1)C(Nc1ccc(CC#N)cc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0825 |
| logD: | 2.0824 |
| logSw: | -2.8723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.595 |
| InChI Key: | KFKJAQOIISKSOO-UHFFFAOYSA-N |