N-(2-methoxy-5-nitrophenyl)-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-1-methyl-1H-pyrazole-5-carboxamide
N-(2-methoxy-5-nitrophenyl)-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 2019-0027 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C12 H12 N4 O4 |
| Smiles: | Cn1c(ccn1)C(Nc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1826 |
| logD: | 0.6888 |
| logSw: | -2.2344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.294 |
| InChI Key: | LUMAJONGUXQDNZ-UHFFFAOYSA-N |