N-(2-chloro-4-nitrophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-nitrophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(2-chloro-4-nitrophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-6211 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 325.66 |
| Molecular Formula: | C11 H8 Cl N5 O5 |
| Smiles: | Cn1cc(c(C(Nc2ccc(cc2[Cl])[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8171 |
| logD: | -0.8298 |
| logSw: | -2.7103 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.45 |
| InChI Key: | FEERGCBWARDRTF-UHFFFAOYSA-N |