N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y500-1083 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 398.85 |
| Molecular Formula: | C20 H19 Cl N4 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1c(C)nn(Cc2ccc(cc2)[Cl])c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5235 |
| logD: | 3.512 |
| logSw: | -4.0959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.296 |
| InChI Key: | ASHNMZIDKOKQKI-UHFFFAOYSA-N |