1-(4-chlorophenyl)-3-methyl-4-[1-(2-methylpropyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-chlorophenyl)-3-methyl-4-[1-(2-methylpropyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
1-(4-chlorophenyl)-3-methyl-4-[1-(2-methylpropyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V014-5333 |
| Compound Name: | 1-(4-chlorophenyl)-3-methyl-4-[1-(2-methylpropyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C24 H23 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)[n+]1cccc(C)c1)c1c(C)nn(c2ccc(cc2)[Cl])c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6684 |
| logD: | 3.6684 |
| logSw: | -4.3029 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.391 |
| InChI Key: | HFHKWRSCLYLBMI-UHFFFAOYSA-N |