N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | S823-1095 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 330.39 |
| Molecular Formula: | C16 H22 N6 O2 |
| Smiles: | Cc1c(C(N[C@@H]2CN(C[C@H]2CO)c2ccncn2)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6976 |
| logD: | -0.6982 |
| logSw: | -1.1987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.869 |
| InChI Key: | OTTBNRWYZOYKGS-OLZOCXBDSA-N |