N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}acetamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}acetamide
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | S823-4962 |
| Compound Name: | N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}acetamide |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1CO)C(c1cc(c2ccccc2C)n[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.763 |
| logD: | 0.7626 |
| logSw: | -2.1844 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.232 |
| InChI Key: | YERUEXRZMFIFSI-SUMWQHHRSA-N |