4-[1-benzyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[1-benzyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
4-[1-benzyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2019 |
| Compound Name: | 4-[1-benzyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C27 H22 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cc[n+](cc1)C1=C(C(N(Cc2ccccc2)C1=O)=O)c1c(C)nn(c2ccccc2)c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.9914 |
| logD: | 2.9914 |
| logSw: | -3.0179 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.227 |
| InChI Key: | CCMXZHGBWOTPMY-UHFFFAOYSA-N |