4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-(4-fluorophenyl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-(4-fluorophenyl)-1H-pyrazol-5-olate
4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-(4-fluorophenyl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V026-0647 |
| Compound Name: | 4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-(4-fluorophenyl)-1H-pyrazol-5-olate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C26 H27 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(C2=C(C(N(CC(C)C)C2=O)=O)[n+]2cc(C)cc(C)c2)c(n(c2ccc(cc2)F)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.4546 |
| logD: | 4.4546 |
| logSw: | -4.2017 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.973 |
| InChI Key: | JROYDQBOEVXVDP-UHFFFAOYSA-N |