N-(2-methoxy-4-nitrophenyl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-(2-methoxy-4-nitrophenyl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-0691 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 335.27 |
| Molecular Formula: | C13 H13 N5 O6 |
| Smiles: | Cc1c(c(C(Nc2ccc(cc2OC)[N+]([O-])=O)=O)n(C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5043 |
| logD: | -1.4006 |
| logSw: | -2.3044 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.292 |
| InChI Key: | DMUBIXNSDRSFQR-UHFFFAOYSA-N |