{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(4-fluorophenyl)-3-methyl-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-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
Compound characteristics
| Compound ID: | E751-4929 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C27 H26 F N5 O3 |
| Smiles: | Cc1c(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c(n2cccc2)n(c2ccc(cc2)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6351 |
| logD: | 3.4435 |
| logSw: | -3.9925 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.752 |
| InChI Key: | ULGZLLPUQRHWLM-UHFFFAOYSA-N |