1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S985-0188 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one |
| Molecular Weight: | 415.58 |
| Molecular Formula: | C23 H37 N5 O2 |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(CCc1c(C)nn(C)c1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.994 |
| logD: | -5.196 |
| logSw: | -0.9657 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.463 |
| InChI Key: | ZMPFWUJWGPVWKT-CVDCTZTESA-N |