N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | C301-3406 |
| Compound Name: | N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | Cc1ccc(CNC(c2c[nH]nc2c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4377 |
| logD: | 3.4377 |
| logSw: | -3.7421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.223 |
| InChI Key: | POCSWARJGJUABU-UHFFFAOYSA-N |