{4-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone
{4-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y502-2563 |
| Compound Name: | {4-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 329.36 |
| Molecular Formula: | C16 H19 N5 O3 |
| Smiles: | Cn1cc(CN2CCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 0.4415 |
| logD: | -2.0457 |
| logSw: | -1.6043 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.618 |
| InChI Key: | ATWSXXQXRCIGBK-UHFFFAOYSA-N |