N-(3,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
N-(3,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-1401 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 292.25 |
| Molecular Formula: | C12 H12 N4 O5 |
| Smiles: | COc1ccc(cc1OC)NC(c1c(c[nH]n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2218 |
| logD: | 1.1405 |
| logSw: | -2.2759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.133 |
| InChI Key: | SQWZEXSBSOEVAU-UHFFFAOYSA-N |