4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}benzamide
Chemical Structure Depiction of
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}benzamide
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}benzamide
Compound characteristics
| Compound ID: | Y502-9542 |
| Compound Name: | 4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}benzamide |
| Molecular Weight: | 450.88 |
| Molecular Formula: | C22 H19 Cl N6 O3 |
| Smiles: | Cc1cccc(Cn2cc(cn2)NC(c2ccc(Cn3cc(c(n3)[N+]([O-])=O)[Cl])cc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5889 |
| logD: | 3.5818 |
| logSw: | -3.901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.432 |
| InChI Key: | CEASIJJXDKXISP-UHFFFAOYSA-N |