{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-(pyridin-3-yl)-1H-pyrazol-3-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-(pyridin-3-yl)-1H-pyrazol-3-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-(pyridin-3-yl)-1H-pyrazol-3-yl]methanone
Compound characteristics
| Compound ID: | G639-0551 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-(pyridin-3-yl)-1H-pyrazol-3-yl]methanone |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc(c2cccnc2)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7599 |
| logD: | 1.5666 |
| logSw: | -1.7853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.55 |
| InChI Key: | YTNMLRSFQDBCQC-UHFFFAOYSA-N |