{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(3-nitrophenyl)methanone
{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y502-1140 |
| Compound Name: | {4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | Cc1c(CN2CCN(CC2)C(c2cccc(c2)[N+]([O-])=O)=O)cnn1C |
| Stereo: | ACHIRAL |
| logP: | 0.7731 |
| logD: | -1.4991 |
| logSw: | -1.6564 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.295 |
| InChI Key: | UOCADDHIHMOHEZ-UHFFFAOYSA-N |