3-(2-cyclopropylethynyl)-2H-indazole

C12H10N2 — CID 42606195

IUPAC3-(2-cyclopropylethynyl)-2H-indazole
SMILESC(#CC1CC1)c1[nH]nc2ccccc12
InChIInChI=1S/C12H10N2/c1-2-4-11-10(3-1)12(14-13-11)8-7-9-5-6-9/h1-4,9H,5-6H2,(H,13,14)
InChIKeyRKZRRSJTRUBLDG-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.32
Rot. Bonds

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

3-(2-cyclopropylethynyl)-2H-indazole (PubChem CID 42606195) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(2-cyclopropylethynyl)-2H-indazole.

Molecular Properties

Compound Name3-(2-cyclopropylethynyl)-2H-indazole
PubChem CID42606195
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name3-(2-cyclopropylethynyl)-2H-indazole
SMILESC(#CC1CC1)c1[nH]nc2ccccc12
InChIInChI=1S/C12H10N2/c1-2-4-11-10(3-1)12(14-13-11)8-7-9-5-6-9/h1-4,9H,5-6H2,(H,13,14)
InChIKeyRKZRRSJTRUBLDG-UHFFFAOYSA-N
XLogP2.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethynyl)-2H-indazole?
The IUPAC name of 3-(2-cyclopropylethynyl)-2H-indazole (CID 42606195) is 3-(2-cyclopropylethynyl)-2H-indazole.
What is the SMILES notation for 3-(2-cyclopropylethynyl)-2H-indazole?
The canonical SMILES for 3-(2-cyclopropylethynyl)-2H-indazole is C(#CC1CC1)c1[nH]nc2ccccc12.
What is the InChIKey of 3-(2-cyclopropylethynyl)-2H-indazole?
The InChIKey is RKZRRSJTRUBLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-4-11-10(3-1)12(14-13-11)8-7-9-5-6-9/h1-4,9H,5-6H2,(H,13,14).
What are the key properties of 3-(2-cyclopropylethynyl)-2H-indazole?
3-(2-cyclopropylethynyl)-2H-indazole has a molecular weight of 182.23 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethynyl)-2H-indazole is sourced from PubChem (CID 42606195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).