MLS000082683 structure

MLS000082683

5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Also Known As: NCGC00071386-02|5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one|5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one|AT-057/42447562|5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one|5-(4-bromophenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

CAS: 587010-15-9
Molecular Formula C20H18BrN3O3
Molecular Weight 427.05316 g/mol
LogP 3.9
Topological Polar Surface Area 78.5 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 427.05316
Monoisotopic Mass 427.05316
Heavy Atoms 27
Complexity 543.0

Chemical Identifiers

CAS Number 587010-15-9
SMILES CCOC1=C(C=CC(=C1)C2C3=C(NN=C3C(=O)N2C4=CC=C(C=C4)Br)C)O
InChIKey JZLRHKXCRQSFDX-UHFFFAOYSA-N

Product Overview

MLS000082683 (CAS 587010-15-9), with molecular formula C20H18BrN3O3 and molecular weight 427.05316 g/mol. IUPAC: 5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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