1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone

C24H16N2O2 — CID 135065422

IUPAC1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16N2O2/c27-24(20-15-18-13-7-8-14-19(18)28-20)23-21(16-9-3-1-4-10-16)22(25-26-23)17-11-5-2-6-12-17/h1-15H,(H,25,26)
InChIKeyGSDSAHXXGJGVPD-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.72
Rot. Bonds4

About 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone

1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone (PubChem CID 135065422) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone
PubChem CID135065422
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16N2O2/c27-24(20-15-18-13-7-8-14-19(18)28-20)23-21(16-9-3-1-4-10-16)22(25-26-23)17-11-5-2-6-12-17/h1-15H,(H,25,26)
InChIKeyGSDSAHXXGJGVPD-UHFFFAOYSA-N
XLogP5.72
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-bromophenyl)-4-phenyl-1H-pyrazol-5-yl]-phenylmethanone
CID 72944927
1-benzofuran-2-yl-[5-phenyl-1-(5-phenyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanone
CID 141166034
(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
CID 114725427
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-(1-benzofuran-2-yl)ethanone
CID 15435
4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 90221279
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 166197616
(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 171985656
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
1-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone (CID 135065422) is 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc2ccccc2o1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is GSDSAHXXGJGVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c27-24(20-15-18-13-7-8-14-19(18)28-20)23-21(16-9-3-1-4-10-16)22(25-26-23)17-11-5-2-6-12-17/h1-15H,(H,25,26).
What are the key properties of 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone?
1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 364.40 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 135065422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).