1-ethyl-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
1-ethyl-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | S823-2157 |
| Compound Name: | 1-ethyl-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 330.39 |
| Molecular Formula: | C16 H22 N6 O2 |
| Smiles: | CCn1c(C)c(cn1)C(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5667 |
| logD: | 0.5667 |
| logSw: | -1.9061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.663 |
| InChI Key: | JPNSCURBSGYIRL-OCCSQVGLSA-N |