N-(3,4-dimethylphenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(3,4-dimethylphenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3934 |
| Compound Name: | N-(3,4-dimethylphenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | Cc1ccc(cc1C)NC(c1ccn(COc2ccccc2[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9206 |
| logD: | 3.9206 |
| logSw: | -4.0067 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.86 |
| InChI Key: | VDHVMAWQMAWWDM-UHFFFAOYSA-N |