4-[2,5-dioxo-1-(propan-2-yl)-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[2,5-dioxo-1-(propan-2-yl)-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
4-[2,5-dioxo-1-(propan-2-yl)-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V029-5198 |
| Compound Name: | 4-[2,5-dioxo-1-(propan-2-yl)-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)[n+]1ccccc1)c1c(C)nn(c2ccccc2)c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6663 |
| logD: | 1.6663 |
| logSw: | -1.7768 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.219 |
| InChI Key: | OLGCCIDOEUJORP-UHFFFAOYSA-N |