4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2087 |
| Compound Name: | 4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C25 H25 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1ccc[n+](c1)C1=C(C(N(CC(C)C)C1=O)=O)c1c(C)nn(c2ccc(cc2)F)c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.5605 |
| logD: | 3.5605 |
| logSw: | -3.5437 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.391 |
| InChI Key: | UMABJNWWRZVANU-UHFFFAOYSA-N |