1-[rel-(3aR,6aR)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0400 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C21 H33 N5 O2 |
| Smiles: | CCn1c(C)c(CN2C[C@@H]3CN(C[C@@]3(C2)C(N2CCCC2)=O)C(C)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5919 |
| logD: | -8.307 |
| logSw: | -0.2671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.845 |
| InChI Key: | QKOQMUWHUTUQHK-RXVVDRJESA-N |