N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-0377 |
| Compound Name: | N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | Cc1ccccc1Cn1c(C)c(c(C)n1)NC(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7198 |
| logD: | 3.7083 |
| logSw: | -4.0367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.296 |
| InChI Key: | BVWOZGPVIWTEFC-UHFFFAOYSA-N |