5-(1-benzofuran-6-yl)-1H-pyrazole

C11H8N2O — CID 67417523

IUPAC5-(1-benzofuran-6-yl)-1H-pyrazole
SMILESc1cc(-c2ccc3ccoc3c2)[nH]n1
InChIInChI=1S/C11H8N2O/c1-2-9(10-3-5-12-13-10)7-11-8(1)4-6-14-11/h1-7H,(H,12,13)
InChIKeyLEEUAZLNAYOEMG-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.82
Rot. Bonds1

About 5-(1-benzofuran-6-yl)-1H-pyrazole

5-(1-benzofuran-6-yl)-1H-pyrazole (PubChem CID 67417523) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-(1-benzofuran-6-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-benzofuran-6-yl)-1H-pyrazole
PubChem CID67417523
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name5-(1-benzofuran-6-yl)-1H-pyrazole
SMILESc1cc(-c2ccc3ccoc3c2)[nH]n1
InChIInChI=1S/C11H8N2O/c1-2-9(10-3-5-12-13-10)7-11-8(1)4-6-14-11/h1-7H,(H,12,13)
InChIKeyLEEUAZLNAYOEMG-UHFFFAOYSA-N
XLogP2.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-6-yl)-1H-pyrazole?
The IUPAC name of 5-(1-benzofuran-6-yl)-1H-pyrazole (CID 67417523) is 5-(1-benzofuran-6-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1-benzofuran-6-yl)-1H-pyrazole?
The canonical SMILES for 5-(1-benzofuran-6-yl)-1H-pyrazole is c1cc(-c2ccc3ccoc3c2)[nH]n1.
What is the InChIKey of 5-(1-benzofuran-6-yl)-1H-pyrazole?
The InChIKey is LEEUAZLNAYOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-9(10-3-5-12-13-10)7-11-8(1)4-6-14-11/h1-7H,(H,12,13).
What are the key properties of 5-(1-benzofuran-6-yl)-1H-pyrazole?
5-(1-benzofuran-6-yl)-1H-pyrazole has a molecular weight of 184.20 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-6-yl)-1H-pyrazole is sourced from PubChem (CID 67417523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).