2-(3-methoxypropyl)indazole

C11H14N2O — CID 10352517

IUPAC2-(3-methoxypropyl)indazole
SMILESCOCCCn1cc2ccccc2n1
InChIInChI=1S/C11H14N2O/c1-14-8-4-7-13-9-10-5-2-3-6-11(10)12-13/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyWDMSTEQJCCELQH-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.07
Rot. Bonds4

About 2-(3-methoxypropyl)indazole

2-(3-methoxypropyl)indazole (PubChem CID 10352517) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(3-methoxypropyl)indazole.

Molecular Properties

Compound Name2-(3-methoxypropyl)indazole
PubChem CID10352517
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(3-methoxypropyl)indazole
SMILESCOCCCn1cc2ccccc2n1
InChIInChI=1S/C11H14N2O/c1-14-8-4-7-13-9-10-5-2-3-6-11(10)12-13/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyWDMSTEQJCCELQH-UHFFFAOYSA-N
XLogP2.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)indazole?
The IUPAC name of 2-(3-methoxypropyl)indazole (CID 10352517) is 2-(3-methoxypropyl)indazole.
What is the SMILES notation for 2-(3-methoxypropyl)indazole?
The canonical SMILES for 2-(3-methoxypropyl)indazole is COCCCn1cc2ccccc2n1.
What is the InChIKey of 2-(3-methoxypropyl)indazole?
The InChIKey is WDMSTEQJCCELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-8-4-7-13-9-10-5-2-3-6-11(10)12-13/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 2-(3-methoxypropyl)indazole?
2-(3-methoxypropyl)indazole has a molecular weight of 190.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)indazole is sourced from PubChem (CID 10352517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).