1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone

C27H18N4O2 — CID 141166034

IUPAC1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n(-c2cc(-c3ccccc3)[nH]n2)n1)c1cc2ccccc2o1
InChIInChI=1S/C27H18N4O2/c32-27(25-15-20-13-7-8-14-24(20)33-25)22-16-23(19-11-5-2-6-12-19)31(30-22)26-17-21(28-29-26)18-9-3-1-4-10-18/h1-17H,(H,28,29)
InChIKeySRGVMHHCLGZNCT-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.91
Rot. Bonds5

About 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone

1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone (PubChem CID 141166034) has the molecular formula C27H18N4O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone
PubChem CID141166034
Molecular FormulaC27H18N4O2
Molecular Weight430.47 g/mol
Exact Mass430.14
IUPAC Name1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n(-c2cc(-c3ccccc3)[nH]n2)n1)c1cc2ccccc2o1
InChIInChI=1S/C27H18N4O2/c32-27(25-15-20-13-7-8-14-24(20)33-25)22-16-23(19-11-5-2-6-12-19)31(30-22)26-17-21(28-29-26)18-9-3-1-4-10-18/h1-17H,(H,28,29)
InChIKeySRGVMHHCLGZNCT-UHFFFAOYSA-N
XLogP5.91
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone
CID 135065422
5-(1-benzofuran-2-carbonyl)-4-isocyano-3-phenyl-2-(5-phenyl-1H-pyrazol-3-yl)-3H-pyrazole-4-carbonitrile
CID 58838930
(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
CID 114725427
1-[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-5-phenyl-7-sulfanylidene-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]ethanone
CID 15853856
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-(1-benzofuran-2-yl)ethanone
CID 15435
[1-benzofuran-2-yl(methoxy)methylidene]chromium
CID 134878936
1-(6-chloropyridazin-3-yl)-5-phenylpyrazole-3-carboxylic acid
CID 23090177
5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid
CID 162670137
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 166197616
1-benzofuran-2-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 7150864

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone (CID 141166034) is 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone is O=C(c1cc(-c2ccccc2)n(-c2cc(-c3ccccc3)[nH]n2)n1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone?
The InChIKey is SRGVMHHCLGZNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2/c32-27(25-15-20-13-7-8-14-24(20)33-25)22-16-23(19-11-5-2-6-12-19)31(30-22)26-17-21(28-29-26)18-9-3-1-4-10-18/h1-17H,(H,28,29).
What are the key properties of 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone?
1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone has a molecular weight of 430.47 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 141166034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).