1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)-1H-pyrrole-2,5-dione
1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | V009-2607 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 549.03 |
| Molecular Formula: | C29 H29 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C1=C(C(N(C1=O)c1ccc2c(c1)OCO2)=O)c1c(C(C)C)nn(c2ccc(cc2)[Cl])c1O |
| Stereo: | ACHIRAL |
| logP: | 5.314 |
| logD: | 3.8361 |
| logSw: | -5.7591 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.409 |
| InChI Key: | JFGROGYSNYTIJO-UHFFFAOYSA-N |