1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0765 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C25 H34 N4 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1c(C)nn(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0988 |
| logD: | 2.0988 |
| logSw: | -2.3711 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.303 |
| InChI Key: | MMKZMPXZOVYBCA-GMAHTHKFSA-N |