1-(3-chlorophenyl)-3-methyl-4-[1-(2-methylpropyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3-chlorophenyl)-3-methyl-4-[1-(2-methylpropyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
1-(3-chlorophenyl)-3-methyl-4-[1-(2-methylpropyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2020 |
| Compound Name: | 1-(3-chlorophenyl)-3-methyl-4-[1-(2-methylpropyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C23 H21 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)[n+]1ccccc1)c1c(C)nn(c2cccc(c2)[Cl])c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.001 |
| logD: | 3.001 |
| logSw: | -3.2723 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.498 |
| InChI Key: | KPJXAPFESFHJBJ-UHFFFAOYSA-N |