1-cyclopentyl-3-ethylindazole-6-carboxylic acid

C15H18N2O2 — CID 15545851

IUPAC1-cyclopentyl-3-ethylindazole-6-carboxylic acid
SMILESCCc1nn(C2CCCC2)c2cc(C(=O)O)ccc12
InChIInChI=1S/C15H18N2O2/c1-2-13-12-8-7-10(15(18)19)9-14(12)17(16-13)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,18,19)
InChIKeyQUKDARNAEGBEOY-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.41
Rot. Bonds3

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

1-cyclopentyl-3-ethylindazole-6-carboxylic acid (PubChem CID 15545851) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-3-ethylindazole-6-carboxylic acid
PubChem CID15545851
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-cyclopentyl-3-ethylindazole-6-carboxylic acid
SMILESCCc1nn(C2CCCC2)c2cc(C(=O)O)ccc12
InChIInChI=1S/C15H18N2O2/c1-2-13-12-8-7-10(15(18)19)9-14(12)17(16-13)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,18,19)
InChIKeyQUKDARNAEGBEOY-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-ethylindazole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethylindazole-6-carboxylic acid?
The IUPAC name of 1-cyclopentyl-3-ethylindazole-6-carboxylic acid (CID 15545851) is 1-cyclopentyl-3-ethylindazole-6-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-3-ethylindazole-6-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-3-ethylindazole-6-carboxylic acid is CCc1nn(C2CCCC2)c2cc(C(=O)O)ccc12.
What is the InChIKey of 1-cyclopentyl-3-ethylindazole-6-carboxylic acid?
The InChIKey is QUKDARNAEGBEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-13-12-8-7-10(15(18)19)9-14(12)17(16-13)11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,18,19).
What are the key properties of 1-cyclopentyl-3-ethylindazole-6-carboxylic acid?
1-cyclopentyl-3-ethylindazole-6-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethylindazole-6-carboxylic acid is sourced from PubChem (CID 15545851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).