1-{4-[rel-(3R,4R)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0764 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1cn(C)nc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1194 |
| logD: | 2.1194 |
| logSw: | -2.7216 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.625 |
| InChI Key: | YKSDIRCIZVIWKT-REWPJTCUSA-N |