3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one

C11H7BrN2O2 — CID 114763722

IUPAC3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2cc3cc(Br)ccc3o2)=NN1
InChIInChI=1S/C11H7BrN2O2/c12-7-1-2-9-6(3-7)4-10(16-9)8-5-11(15)14-13-8/h1-4H,5H2,(H,14,15)
InChIKeySCEOOTVWFUVIGF-UHFFFAOYSA-N
MW279.09 g/mol
LogP2.42
Rot. Bonds1

About 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one

3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one (PubChem CID 114763722) has the molecular formula C11H7BrN2O2 and a molecular weight of 279.09 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one
PubChem CID114763722
Molecular FormulaC11H7BrN2O2
Molecular Weight279.09 g/mol
Exact Mass277.97
IUPAC Name3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2cc3cc(Br)ccc3o2)=NN1
InChIInChI=1S/C11H7BrN2O2/c12-7-1-2-9-6(3-7)4-10(16-9)8-5-11(15)14-13-8/h1-4H,5H2,(H,14,15)
InChIKeySCEOOTVWFUVIGF-UHFFFAOYSA-N
XLogP2.42
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
CID 114763767
6-bromo-3-methylchromen-2-one
CID 14956088
7-bromo-2-(7-bromobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108528
6-bromo-3-ethylchromen-2-one
CID 53243812
5-bromo-2-(4-nitrosophenyl)-1-benzofuran
CID 88578119
6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine
CID 115110800
6-bromo-3-propylchromen-2-one
CID 57275772
5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine
CID 63530942
6-bromo-3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 22310249
3-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 3972700
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethynyl]-1-benzofuran
CID 18624240

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one (CID 114763722) is 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one is O=C1CC(c2cc3cc(Br)ccc3o2)=NN1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one?
The InChIKey is SCEOOTVWFUVIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2/c12-7-1-2-9-6(3-7)4-10(16-9)8-5-11(15)14-13-8/h1-4H,5H2,(H,14,15).
What are the key properties of 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one?
3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one has a molecular weight of 279.09 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 114763722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).