4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V027-9421 |
| Compound Name: | 4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C24 H24 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)[n+]1cc(C)cc(C)c1)c1c(C)nn(c2ccccc2)c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.01 |
| logD: | 3.01 |
| logSw: | -2.9724 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.005 |
| InChI Key: | KJBMFHBHDBBLNH-UHFFFAOYSA-N |