N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | 8011-6604 |
| Compound Name: | N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C12 H12 N4 O3 |
| Smiles: | Cn1cc(c(C(NCc2ccccc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9679 |
| logD: | 0.967 |
| logSw: | -1.7535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.088 |
| InChI Key: | PMZWPKTWPDQGSE-UHFFFAOYSA-N |