1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V011-4613 |
| Compound Name: | 1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate |
| Molecular Weight: | 478.98 |
| Molecular Formula: | C26 H27 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CCCN1C(C(=C(C1=O)[n+]1cc(C)cc(C)c1)c1c(C(C)C)nn(c2cccc(c2)[Cl])c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4506 |
| logD: | 5.4506 |
| logSw: | -5.5522 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.456 |
| InChI Key: | UPDUIRDTJSUFRJ-UHFFFAOYSA-N |