5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0467 |
| Compound Name: | 5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H23 F N6 |
| Smiles: | Cc1cc(CN2C[C@@H](CF)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7633 |
| logD: | -0.7529 |
| logSw: | -1.9145 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.521 |
| InChI Key: | JKSRLXJMPKOZKB-RDJZCZTQSA-N |