3-(2-cyclopentylethynyl)-2H-indazole

C14H14N2 — CID 42606196

IUPAC3-(2-cyclopentylethynyl)-2H-indazole
SMILESC(#CC1CCCC1)c1[nH]nc2ccccc12
InChIInChI=1S/C14H14N2/c1-2-6-11(5-1)9-10-14-12-7-3-4-8-13(12)15-16-14/h3-4,7-8,11H,1-2,5-6H2,(H,15,16)
InChIKeyRAGNROXQUZBSQB-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.10
Rot. Bonds

About 3-(2-cyclopentylethynyl)-2H-indazole

3-(2-cyclopentylethynyl)-2H-indazole (PubChem CID 42606196) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(2-cyclopentylethynyl)-2H-indazole.

Molecular Properties

Compound Name3-(2-cyclopentylethynyl)-2H-indazole
PubChem CID42606196
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3-(2-cyclopentylethynyl)-2H-indazole
SMILESC(#CC1CCCC1)c1[nH]nc2ccccc12
InChIInChI=1S/C14H14N2/c1-2-6-11(5-1)9-10-14-12-7-3-4-8-13(12)15-16-14/h3-4,7-8,11H,1-2,5-6H2,(H,15,16)
InChIKeyRAGNROXQUZBSQB-UHFFFAOYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(2-cyclopentylethynyl)-2H-indazole 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 3-(2-cyclopentylethynyl)-2H-indazole?
The IUPAC name of 3-(2-cyclopentylethynyl)-2H-indazole (CID 42606196) is 3-(2-cyclopentylethynyl)-2H-indazole.
What is the SMILES notation for 3-(2-cyclopentylethynyl)-2H-indazole?
The canonical SMILES for 3-(2-cyclopentylethynyl)-2H-indazole is C(#CC1CCCC1)c1[nH]nc2ccccc12.
What is the InChIKey of 3-(2-cyclopentylethynyl)-2H-indazole?
The InChIKey is RAGNROXQUZBSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-6-11(5-1)9-10-14-12-7-3-4-8-13(12)15-16-14/h3-4,7-8,11H,1-2,5-6H2,(H,15,16).
What are the key properties of 3-(2-cyclopentylethynyl)-2H-indazole?
3-(2-cyclopentylethynyl)-2H-indazole has a molecular weight of 210.28 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethynyl)-2H-indazole is sourced from PubChem (CID 42606196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).