N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-2-nitrobenzamide
N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-3987 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-2-nitrobenzamide |
| Molecular Weight: | 356.77 |
| Molecular Formula: | C17 H13 Cl N4 O3 |
| Smiles: | C(c1ccc(cc1)[Cl])n1cc(cn1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0431 |
| logD: | 2.3725 |
| logSw: | -3.9255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.916 |
| InChI Key: | JTSINMKPMCCIRK-UHFFFAOYSA-N |