[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB34-0134 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C16 H21 F N6 O |
| Smiles: | Cc1c(cn(C)n1)C(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5487 |
| logD: | 0.5469 |
| logSw: | -1.8465 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.318 |
| InChI Key: | NSPMSHBETPDDNZ-AAEUAGOBSA-N |