6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C13H8Cl2N4O — CID 136676302

IUPAC6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccc(Cl)c(Cl)c2)nc2[nH]ncc12
InChIInChI=1S/C13H8Cl2N4O/c14-9-3-1-7(5-10(9)15)2-4-11-17-12-8(6-16-19-12)13(20)18-11/h1-6H,(H2,16,17,18,19,20)/b4-2+
InChIKeyOWSKNCKOWDWCPU-DUXPYHPUSA-N
MW307.14 g/mol
LogP3.12
Rot. Bonds2

About 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136676302) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136676302
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccc(Cl)c(Cl)c2)nc2[nH]ncc12
InChIInChI=1S/C13H8Cl2N4O/c14-9-3-1-7(5-10(9)15)2-4-11-17-12-8(6-16-19-12)13(20)18-11/h1-6H,(H2,16,17,18,19,20)/b4-2+
InChIKeyOWSKNCKOWDWCPU-DUXPYHPUSA-N
XLogP3.12
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137258011
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
6-chloro-2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 137197704
N-(3,4-dichlorophenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135831530
2-[(E)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
CID 135581322
2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid
CID 70419797
6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135403384
6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135483440
6-nitro-2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135441720
2-[2-[1-(3,4-dichlorophenyl)triazol-4-yl]ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136529824
6-[(E)-2-(3-bromo-4-methylphenyl)ethenyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137216362
2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136721366

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 136676302) is 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(/C=C/c2ccc(Cl)c(Cl)c2)nc2[nH]ncc12.
What is the InChIKey of 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OWSKNCKOWDWCPU-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-9-3-1-7(5-10(9)15)2-4-11-17-12-8(6-16-19-12)13(20)18-11/h1-6H,(H2,16,17,18,19,20)/b4-2+.
What are the key properties of 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 307.14 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136676302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).