(1-ethyl-1H-pyrazol-3-yl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(1-ethyl-1H-pyrazol-3-yl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
(1-ethyl-1H-pyrazol-3-yl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB32-0914 |
| Compound Name: | (1-ethyl-1H-pyrazol-3-yl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | CCn1ccc(C(N2C[C@@H](COC)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9241 |
| logD: | 1.9197 |
| logSw: | -2.4449 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.442 |
| InChI Key: | RDYHISLFROHQCZ-JKSUJKDBSA-N |