1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S823-4498 |
| Compound Name: | 1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 266.34 |
| Molecular Formula: | C13 H22 N4 O2 |
| Smiles: | Cc1cnn(CC(N2C[C@H]([C@@H](C2)CO)N(C)C)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8855 |
| logD: | -2.4062 |
| logSw: | -0.0365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.396 |
| InChI Key: | TVHCDPAUGNRZLW-NWDGAFQWSA-N |