5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole

C11H7BrN2O — CID 2805330

IUPAC5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole
SMILESBrc1ccc2oc(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C11H7BrN2O/c12-8-1-2-10-7(5-8)6-11(15-10)9-3-4-13-14-9/h1-6H,(H,13,14)
InChIKeyJSTSFIZUERTPFM-UHFFFAOYSA-N
MW263.09 g/mol
LogP3.59
Rot. Bonds1

About 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole

5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole (PubChem CID 2805330) has the molecular formula C11H7BrN2O and a molecular weight of 263.09 g/mol. Its IUPAC name is 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole
PubChem CID2805330
Molecular FormulaC11H7BrN2O
Molecular Weight263.09 g/mol
Exact Mass261.97
IUPAC Name5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole
SMILESBrc1ccc2oc(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C11H7BrN2O/c12-8-1-2-10-7(5-8)6-11(15-10)9-3-4-13-14-9/h1-6H,(H,13,14)
InChIKeyJSTSFIZUERTPFM-UHFFFAOYSA-N
XLogP3.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole?
The IUPAC name of 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole (CID 2805330) is 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole is Brc1ccc2oc(-c3ccn[nH]3)cc2c1.
What is the InChIKey of 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole?
The InChIKey is JSTSFIZUERTPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O/c12-8-1-2-10-7(5-8)6-11(15-10)9-3-4-13-14-9/h1-6H,(H,13,14).
What are the key properties of 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole?
5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole has a molecular weight of 263.09 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole is sourced from PubChem (CID 2805330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).