1-benzyl-3-(5-methylfuran-2-yl)indazole

C19H16N2O — CID 10968191

IUPAC1-benzyl-3-(5-methylfuran-2-yl)indazole
SMILESCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C19H16N2O/c1-14-11-12-18(22-14)19-16-9-5-6-10-17(16)21(20-19)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyOQJBIAYSKVCHAG-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.65
Rot. Bonds3

About 1-benzyl-3-(5-methylfuran-2-yl)indazole

1-benzyl-3-(5-methylfuran-2-yl)indazole (PubChem CID 10968191) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-benzyl-3-(5-methylfuran-2-yl)indazole.

Molecular Properties

Compound Name1-benzyl-3-(5-methylfuran-2-yl)indazole
PubChem CID10968191
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-benzyl-3-(5-methylfuran-2-yl)indazole
SMILESCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C19H16N2O/c1-14-11-12-18(22-14)19-16-9-5-6-10-17(16)21(20-19)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyOQJBIAYSKVCHAG-UHFFFAOYSA-N
XLogP4.65
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-methylfuran-2-yl)indazole?
The IUPAC name of 1-benzyl-3-(5-methylfuran-2-yl)indazole (CID 10968191) is 1-benzyl-3-(5-methylfuran-2-yl)indazole.
What is the SMILES notation for 1-benzyl-3-(5-methylfuran-2-yl)indazole?
The canonical SMILES for 1-benzyl-3-(5-methylfuran-2-yl)indazole is Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of 1-benzyl-3-(5-methylfuran-2-yl)indazole?
The InChIKey is OQJBIAYSKVCHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-11-12-18(22-14)19-16-9-5-6-10-17(16)21(20-19)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 1-benzyl-3-(5-methylfuran-2-yl)indazole?
1-benzyl-3-(5-methylfuran-2-yl)indazole has a molecular weight of 288.35 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-methylfuran-2-yl)indazole is sourced from PubChem (CID 10968191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).