2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S831-2226 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | Cc1cc(C)n(CC(N2C[C@@H](COC)[C@@H](C2)c2ccccn2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.34 |
| logD: | 0.3394 |
| logSw: | -1.884 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.799 |
| InChI Key: | PWRPNKFWXSAHAJ-JKSUJKDBSA-N |