3-cyclopropyl-5-[rel-(3R,4R)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0136 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C17 H25 F N6 |
| Smiles: | CCn1cc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C3CC3)n[nH]2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3855 |
| logD: | -5.2863 |
| logSw: | -1.9093 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.095 |
| InChI Key: | ZXIRVHBJNXBUCY-ZFWWWQNUSA-N |