2-butyl-3-ethoxyindazole

C13H18N2O — CID 71729143

IUPAC2-butyl-3-ethoxyindazole
SMILESCCCCn1nc2ccccc2c1OCC
InChIInChI=1S/C13H18N2O/c1-3-5-10-15-13(16-4-2)11-8-6-7-9-12(11)14-15/h6-9H,3-5,10H2,1-2H3
InChIKeyAGMFBUXZQLNLJF-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.24
Rot. Bonds5

About 2-butyl-3-ethoxyindazole

2-butyl-3-ethoxyindazole (PubChem CID 71729143) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-butyl-3-ethoxyindazole.

Molecular Properties

Compound Name2-butyl-3-ethoxyindazole
PubChem CID71729143
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-butyl-3-ethoxyindazole
SMILESCCCCn1nc2ccccc2c1OCC
InChIInChI=1S/C13H18N2O/c1-3-5-10-15-13(16-4-2)11-8-6-7-9-12(11)14-15/h6-9H,3-5,10H2,1-2H3
InChIKeyAGMFBUXZQLNLJF-UHFFFAOYSA-N
XLogP3.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethoxyindazole?
The IUPAC name of 2-butyl-3-ethoxyindazole (CID 71729143) is 2-butyl-3-ethoxyindazole.
What is the SMILES notation for 2-butyl-3-ethoxyindazole?
The canonical SMILES for 2-butyl-3-ethoxyindazole is CCCCn1nc2ccccc2c1OCC.
What is the InChIKey of 2-butyl-3-ethoxyindazole?
The InChIKey is AGMFBUXZQLNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-10-15-13(16-4-2)11-8-6-7-9-12(11)14-15/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 2-butyl-3-ethoxyindazole?
2-butyl-3-ethoxyindazole has a molecular weight of 218.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethoxyindazole is sourced from PubChem (CID 71729143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).