{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
Compound characteristics
| Compound ID: | E751-3399 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C27 H27 N5 O3 |
| Smiles: | Cc1ccc(cc1)n1c(c(cn1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3333 |
| logD: | 4.1417 |
| logSw: | -4.0731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.399 |
| InChI Key: | FCZRWIDGJDNRLQ-UHFFFAOYSA-N |