(1-ethyl-1H-pyrazol-5-yl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(1-ethyl-1H-pyrazol-5-yl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
(1-ethyl-1H-pyrazol-5-yl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB34-0453 |
| Compound Name: | (1-ethyl-1H-pyrazol-5-yl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C19 H21 F N6 O |
| Smiles: | CCn1c(ccn1)C(N1C[C@@H](CF)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8483 |
| logD: | 1.844 |
| logSw: | -2.3745 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.722 |
| InChI Key: | YJZSTTLUYYTSEQ-GJZGRUSLSA-N |