N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-3-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-3-nitro-1H-pyrazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-3-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 8011-9400 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-3-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C19 H16 N4 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5811 |
| logD: | 2.5811 |
| logSw: | -3.0225 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.571 |
| InChI Key: | DXDIODNHJPGBAC-UHFFFAOYSA-N |