1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate

Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate
Available: 12 mg
Amount:
mg
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Compound characteristics

Compound ID: V011-5510
Compound Name: 1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate
Molecular Weight: 464.95
Molecular Formula: C25 H25 Cl N4 O3
Salt: not_available
Smiles: CCc1c(C2=C(C(N(C(C)C)C2=O)=O)[n+]2cc(C)cc(C)c2)c(n(c2cccc(c2)[Cl])n1)[O-]
Stereo: ACHIRAL
logP: 4.4813
logD: 4.4813
logSw: -4.4566
Hydrogen bond acceptors count: 7
Polar surface area: 62.694
InChI Key: MSFAIMUCQIWWPP-UHFFFAOYSA-N
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