1-(3-chlorophenyl)-4-[4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
1-(3-chlorophenyl)-4-[4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V030-6412 |
| Compound Name: | 1-(3-chlorophenyl)-4-[4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C25 H25 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CCCc1c(C2=C(C(N(C(C)C)C2=O)=O)[n+]2ccc(C)cc2)c(n(c2cccc(c2)[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.047 |
| logD: | 4.047 |
| logSw: | -4.2792 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.908 |
| InChI Key: | WXCCIPOYGWLLPG-UHFFFAOYSA-N |