N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole-3-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | S823-1999 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C14 H18 N6 O2 |
| Smiles: | Cn1ccc(C(N[C@@H]2CN(C[C@H]2CO)c2ncccn2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4222 |
| logD: | -0.4222 |
| logSw: | -1.4966 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.43 |
| InChI Key: | QXBSXNMYASSIMT-PWSUYJOCSA-N |