4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-olate
4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V005-8339 |
| Compound Name: | 4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-olate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C26 H27 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCCc1c(C2=C(C(N(C(C)C)C2=O)=O)[n+]2ccc(C)c(C)c2)c(n(c2ccc(cc2)F)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.2931 |
| logD: | 4.2931 |
| logSw: | -4.2172 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.801 |
| InChI Key: | CCXWIQRAFSWNNI-UHFFFAOYSA-N |