1-cyclobutyl-3-ethylindazole-6-carboxylic acid

C14H16N2O2 — CID 21183691

IUPAC1-cyclobutyl-3-ethylindazole-6-carboxylic acid
SMILESCCc1nn(C2CCC2)c2cc(C(=O)O)ccc12
InChIInChI=1S/C14H16N2O2/c1-2-12-11-7-6-9(14(17)18)8-13(11)16(15-12)10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,17,18)
InChIKeyZVQVGXQEQBEHGE-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.02
Rot. Bonds3

About 1-cyclobutyl-3-ethylindazole-6-carboxylic acid

1-cyclobutyl-3-ethylindazole-6-carboxylic acid (PubChem CID 21183691) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-ethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-3-ethylindazole-6-carboxylic acid
PubChem CID21183691
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-cyclobutyl-3-ethylindazole-6-carboxylic acid
SMILESCCc1nn(C2CCC2)c2cc(C(=O)O)ccc12
InChIInChI=1S/C14H16N2O2/c1-2-12-11-7-6-9(14(17)18)8-13(11)16(15-12)10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,17,18)
InChIKeyZVQVGXQEQBEHGE-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-ethylindazole-6-carboxylic acid?
The IUPAC name of 1-cyclobutyl-3-ethylindazole-6-carboxylic acid (CID 21183691) is 1-cyclobutyl-3-ethylindazole-6-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-3-ethylindazole-6-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-3-ethylindazole-6-carboxylic acid is CCc1nn(C2CCC2)c2cc(C(=O)O)ccc12.
What is the InChIKey of 1-cyclobutyl-3-ethylindazole-6-carboxylic acid?
The InChIKey is ZVQVGXQEQBEHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-12-11-7-6-9(14(17)18)8-13(11)16(15-12)10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,17,18).
What are the key properties of 1-cyclobutyl-3-ethylindazole-6-carboxylic acid?
1-cyclobutyl-3-ethylindazole-6-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-ethylindazole-6-carboxylic acid is sourced from PubChem (CID 21183691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).