N-(2-methoxy-5-nitrophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-(2-methoxy-5-nitrophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 1426-2786 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 321.25 |
| Molecular Formula: | C12 H11 N5 O6 |
| Smiles: | Cn1c(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2479 |
| logD: | -1.5284 |
| logSw: | -2.2751 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.24 |
| InChI Key: | KNEPPUJNMDUVJW-UHFFFAOYSA-N |