1-(4-chlorophenyl)-4-[4-(4-ethylpyridin-1-ium-1-yl)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-chlorophenyl)-4-[4-(4-ethylpyridin-1-ium-1-yl)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
1-(4-chlorophenyl)-4-[4-(4-ethylpyridin-1-ium-1-yl)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V011-5463 |
| Compound Name: | 1-(4-chlorophenyl)-4-[4-(4-ethylpyridin-1-ium-1-yl)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C28 H23 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1cc[n+](cc1)C1=C(C(N(C1=O)c1ccc(C)cc1)=O)c1c(C)nn(c2ccc(cc2)[Cl])c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.5212 |
| logD: | 4.5212 |
| logSw: | -4.7132 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.615 |
| InChI Key: | QPIPVNARYZKJDC-UHFFFAOYSA-N |