N-(3-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}phenyl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}phenyl)-1-methyl-1H-pyrazole-3-carboxamide
N-(3-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}phenyl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-9865 |
| Compound Name: | N-(3-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}phenyl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 479.88 |
| Molecular Formula: | C22 H18 Cl N7 O4 |
| Smiles: | Cn1ccc(C(Nc2cccc(c2)NC(c2ccc(Cn3cc(c(n3)[N+]([O-])=O)[Cl])cc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3689 |
| logD: | 2.3688 |
| logSw: | -3.5045 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.709 |
| InChI Key: | YSMOKJWWGMTVBH-UHFFFAOYSA-N |