1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-8639 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C30 H30 F N3 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCC1Cc1ccccc1)CC(N1C(CC(c2ccc(cc2)F)=N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0462 |
| logD: | 5.9699 |
| logSw: | -6.1977 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.435 |
| InChI Key: | HPSMZUQBUXKCGF-HHHXNRCGSA-N |