5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-3-phenyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0473 |
| Compound Name: | 5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H21 F N6 |
| Smiles: | Cn1cc(CN2C[C@@H](CF)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5605 |
| logD: | -4.0494 |
| logSw: | -1.7189 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.526 |
| InChI Key: | ZUJJJALVMRSWFT-HOTGVXAUSA-N |