N-[rel-(3R,4S)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S823-2887 |
| Compound Name: | N-[rel-(3R,4S)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | CCn1c(C)c(CN2C[C@H]([C@@H](C2)CO)NC(c2ccccc2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8542 |
| logD: | -4.705 |
| logSw: | -1.7921 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.934 |
| InChI Key: | ATHWGAVEPOGBCF-MJGOQNOKSA-N |