N-(2-methoxy-4-nitrophenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-4-nitro-1H-pyrazole-3-carboxamide
N-(2-methoxy-4-nitrophenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2630 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 307.22 |
| Molecular Formula: | C11 H9 N5 O6 |
| Smiles: | COc1cc(ccc1NC(c1c(c[nH]n1)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7006 |
| logD: | -0.6899 |
| logSw: | -2.3368 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.186 |
| InChI Key: | FDEURRLOYOWDHP-UHFFFAOYSA-N |