N-(4-chloro-3-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
N-(4-chloro-3-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-3594 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 341.66 |
| Molecular Formula: | C11 H8 Cl N5 O6 |
| Smiles: | COc1c(c(C(Nc2ccc(c(c2)[N+]([O-])=O)[Cl])=O)[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4129 |
| logD: | 0.7276 |
| logSw: | -3.3684 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.023 |
| InChI Key: | KAPPZRSNNWVIST-UHFFFAOYSA-N |