N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitrobenzamide
N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y502-1359 |
| Compound Name: | N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitrobenzamide |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | Cc1ccccc1Cn1cc(cn1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4728 |
| logD: | 3.4644 |
| logSw: | -3.4204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.217 |
| InChI Key: | VQSJLSANDJHWTA-UHFFFAOYSA-N |