{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone
{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y502-1559 |
| Compound Name: | {4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | Cc1c(CN2CCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.7554 |
| logD: | -1.5167 |
| logSw: | -1.534 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.971 |
| InChI Key: | UXZISYMWZAEMPW-UHFFFAOYSA-N |