3-ethyl-1-(propoxymethyl)indazole

C13H18N2O — CID 70846953

IUPAC3-ethyl-1-(propoxymethyl)indazole
SMILESCCCOCn1nc(CC)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-9-16-10-15-13-8-6-5-7-11(13)12(4-2)14-15/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUUECCIVKPLOXGG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.98
Rot. Bonds5

About 3-ethyl-1-(propoxymethyl)indazole

3-ethyl-1-(propoxymethyl)indazole (PubChem CID 70846953) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-ethyl-1-(propoxymethyl)indazole.

Molecular Properties

Compound Name3-ethyl-1-(propoxymethyl)indazole
PubChem CID70846953
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-ethyl-1-(propoxymethyl)indazole
SMILESCCCOCn1nc(CC)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-9-16-10-15-13-8-6-5-7-11(13)12(4-2)14-15/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUUECCIVKPLOXGG-UHFFFAOYSA-N
XLogP2.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.98
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 3-ethyl-1-(propoxymethyl)indazole?
The IUPAC name of 3-ethyl-1-(propoxymethyl)indazole (CID 70846953) is 3-ethyl-1-(propoxymethyl)indazole.
What is the SMILES notation for 3-ethyl-1-(propoxymethyl)indazole?
The canonical SMILES for 3-ethyl-1-(propoxymethyl)indazole is CCCOCn1nc(CC)c2ccccc21.
What is the InChIKey of 3-ethyl-1-(propoxymethyl)indazole?
The InChIKey is UUECCIVKPLOXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-16-10-15-13-8-6-5-7-11(13)12(4-2)14-15/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(propoxymethyl)indazole?
3-ethyl-1-(propoxymethyl)indazole has a molecular weight of 218.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(propoxymethyl)indazole is sourced from PubChem (CID 70846953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).