1-[(2-chloro-4-nitrophenoxy)methyl]-N-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-[(2-chloro-4-nitrophenoxy)methyl]-N-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
1-[(2-chloro-4-nitrophenoxy)methyl]-N-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3655 |
| Compound Name: | 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C19 H17 Cl N4 O4 |
| Smiles: | Cc1ccc(cc1C)NC(c1ccn(COc2ccc(cc2[Cl])[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5217 |
| logD: | 4.5217 |
| logSw: | -4.6571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.161 |
| InChI Key: | SMSZXMKRKQRZHM-UHFFFAOYSA-N |