2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one

C26H16N2O3 — CID 53232176

IUPAC2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one
SMILESO=c1cc(-c2cnn(-c3ccccc3)c2-c2cc3ccccc3o2)oc2ccccc12
InChIInChI=1S/C26H16N2O3/c29-21-15-24(31-23-13-7-5-11-19(21)23)20-16-27-28(18-9-2-1-3-10-18)26(20)25-14-17-8-4-6-12-22(17)30-25/h1-16H
InChIKeyJRGIEKLFEXEMEF-UHFFFAOYSA-N
MW404.43 g/mol
LogP6.06
Rot. Bonds3

About 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one

2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one (PubChem CID 53232176) has the molecular formula C26H16N2O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one
PubChem CID53232176
Molecular FormulaC26H16N2O3
Molecular Weight404.43 g/mol
Exact Mass404.12
IUPAC Name2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one
SMILESO=c1cc(-c2cnn(-c3ccccc3)c2-c2cc3ccccc3o2)oc2ccccc12
InChIInChI=1S/C26H16N2O3/c29-21-15-24(31-23-13-7-5-11-19(21)23)20-16-27-28(18-9-2-1-3-10-18)26(20)25-14-17-8-4-6-12-22(17)30-25/h1-16H
InChIKeyJRGIEKLFEXEMEF-UHFFFAOYSA-N
XLogP6.06
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
2-(2-methylphenyl)chromen-4-one
CID 776385
2-dibenzofuran-1-ylchromen-4-one
CID 168888509
5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one
CID 177413534
2-(5-bromo-2-hydroxyphenyl)chromen-4-one
CID 146365267
5-(1-benzofuran-2-yl)benzo[a]anthracene-7,12-dione
CID 12614696
CID 159796273
CID 159796273
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one
CID 56834421
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 71394280

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one (CID 53232176) is 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one is O=c1cc(-c2cnn(-c3ccccc3)c2-c2cc3ccccc3o2)oc2ccccc12.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one?
The InChIKey is JRGIEKLFEXEMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O3/c29-21-15-24(31-23-13-7-5-11-19(21)23)20-16-27-28(18-9-2-1-3-10-18)26(20)25-14-17-8-4-6-12-22(17)30-25/h1-16H.
What are the key properties of 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one?
2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one has a molecular weight of 404.43 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one is sourced from PubChem (CID 53232176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).