5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid

C20H16N2O3 — CID 10969629

IUPAC5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid
SMILESCc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H16N2O3/c1-13-7-8-15-16(11-13)22(12-14-5-3-2-4-6-14)21-19(15)17-9-10-18(25-17)20(23)24/h2-11H,12H2,1H3,(H,23,24)
InChIKeyHHBULKCBWJPUAE-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.35
Rot. Bonds4

About 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid

5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid (PubChem CID 10969629) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid
PubChem CID10969629
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid
SMILESCc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H16N2O3/c1-13-7-8-15-16(11-13)22(12-14-5-3-2-4-6-14)21-19(15)17-9-10-18(25-17)20(23)24/h2-11H,12H2,1H3,(H,23,24)
InChIKeyHHBULKCBWJPUAE-UHFFFAOYSA-N
XLogP4.35
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid (CID 10969629) is 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid is Cc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1.
What is the InChIKey of 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid?
The InChIKey is HHBULKCBWJPUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-13-7-8-15-16(11-13)22(12-14-5-3-2-4-6-14)21-19(15)17-9-10-18(25-17)20(23)24/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid?
5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 10969629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).