4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2021 |
| Compound Name: | 4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C24 H23 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCCN1C(C(=C(C1=O)[n+]1cc(C)cc(C)c1)c1c(C)nn(c2ccc(cc2)F)c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2874 |
| logD: | 3.2874 |
| logSw: | -3.0867 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.263 |
| InChI Key: | XXHUEKHOMZXOOC-UHFFFAOYSA-N |