2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{4-[(pyridin-4-yl)methyl]phenyl}acetamide
Chemical Structure Depiction of
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{4-[(pyridin-4-yl)methyl]phenyl}acetamide
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{4-[(pyridin-4-yl)methyl]phenyl}acetamide
Compound characteristics
| Compound ID: | Y500-6080 |
| Compound Name: | 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{4-[(pyridin-4-yl)methyl]phenyl}acetamide |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C18 H17 N5 O3 |
| Smiles: | Cc1cc(nn1CC(Nc1ccc(Cc2ccncc2)cc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7565 |
| logD: | 1.7565 |
| logSw: | -2.2117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.318 |
| InChI Key: | PSCGAQUMBYFDFM-UHFFFAOYSA-N |