{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-methyl-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}[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
Compound characteristics
| Compound ID: | E751-3909 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C28 H29 N5 O3 |
| Smiles: | Cc1ccc(cc1)n1c(c(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c(C)n1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0294 |
| logD: | 3.8378 |
| logSw: | -4.0639 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.752 |
| InChI Key: | RQYRWTYDDQSVPB-UHFFFAOYSA-N |