1-benzyl-3-(furan-2-yl)indazole

C18H14N2O — CID 11108551

IUPAC1-benzyl-3-(furan-2-yl)indazole
SMILESc1ccc(Cn2nc(-c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C18H14N2O/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)18(19-20)17-11-6-12-21-17/h1-12H,13H2
InChIKeyQJLIFGAZSZHNJZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.34
Rot. Bonds3

About 1-benzyl-3-(furan-2-yl)indazole

1-benzyl-3-(furan-2-yl)indazole (PubChem CID 11108551) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-benzyl-3-(furan-2-yl)indazole.

Molecular Properties

Compound Name1-benzyl-3-(furan-2-yl)indazole
PubChem CID11108551
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name1-benzyl-3-(furan-2-yl)indazole
SMILESc1ccc(Cn2nc(-c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C18H14N2O/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)18(19-20)17-11-6-12-21-17/h1-12H,13H2
InChIKeyQJLIFGAZSZHNJZ-UHFFFAOYSA-N
XLogP4.34
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(furan-2-yl)indazole?
The IUPAC name of 1-benzyl-3-(furan-2-yl)indazole (CID 11108551) is 1-benzyl-3-(furan-2-yl)indazole.
What is the SMILES notation for 1-benzyl-3-(furan-2-yl)indazole?
The canonical SMILES for 1-benzyl-3-(furan-2-yl)indazole is c1ccc(Cn2nc(-c3ccco3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-(furan-2-yl)indazole?
The InChIKey is QJLIFGAZSZHNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)18(19-20)17-11-6-12-21-17/h1-12H,13H2.
What are the key properties of 1-benzyl-3-(furan-2-yl)indazole?
1-benzyl-3-(furan-2-yl)indazole has a molecular weight of 274.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(furan-2-yl)indazole is sourced from PubChem (CID 11108551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).