1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-ethylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-ethylpiperazin-1-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-ethylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V020-1163 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-ethylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C25 H30 N4 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)CC(N1C(CC(c2ccc(C)cc2)=N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5606 |
| logD: | 2.7667 |
| logSw: | -3.4754 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.243 |
| InChI Key: | JCTBRFIFXSLLOH-QFIPXVFZSA-N |