4-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
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![4-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/501ebd552a6f4529a0f399b38abc53cf.png "4-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one")
4-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
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CAS No:
351163-05-8
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Formula:
C24H26N6O4
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Chemical Name:
4-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
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Synonyms:
SMR000135472;5-methyl-2-(4-nitrophenyl)-4-[(E)-({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}imino)methyl]-1,2-dihydro-3H-pyrazol-3-one;4-({[2-(4-benzoyl-1-piperazinyl)ethyl]amino}methylene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one;ChemDiv1_018292;MLS000530493;MLS002539729;CHEMBL3189384;HMS638P10;HMS2378O24;KUC110451N;STK142983;STK559509;STK742013;ZINC18250685;AKOS001754833;AKOS003653690;AKOS005485126;KSC-226-62C-1;ZINC100104965;ZINC100105630;ZINC100149252;MCULE-1860515602;MCULE-9634417599;SR-01000534845;SR-01000534845-1;(4E)-5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one;{4-[2-({(E)-[5-hydroxy-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}amino)ethyl]piperazin-1-yl}(phenyl)methanone;351163-05-8
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CAS No:
4-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Basic Attributes
462.5 g/mol
462.20155333 g/mol
Computed Properties
Molecular Weight:462.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:462.20155333
Monoisotopic Mass:462.20155333
Topological Polar Surface Area:114
Heavy Atom Count:34
Complexity:816
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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