1-(3-methoxypropyl)-6-methylindazole

C12H16N2O — CID 66596206

IUPAC1-(3-methoxypropyl)-6-methylindazole
SMILESCOCCCn1ncc2ccc(C)cc21
InChIInChI=1S/C12H16N2O/c1-10-4-5-11-9-13-14(12(11)8-10)6-3-7-15-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyZPPQJOAHMXBGLD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.38
Rot. Bonds4

About 1-(3-methoxypropyl)-6-methylindazole

1-(3-methoxypropyl)-6-methylindazole (PubChem CID 66596206) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-6-methylindazole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-6-methylindazole
PubChem CID66596206
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-methoxypropyl)-6-methylindazole
SMILESCOCCCn1ncc2ccc(C)cc21
InChIInChI=1S/C12H16N2O/c1-10-4-5-11-9-13-14(12(11)8-10)6-3-7-15-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyZPPQJOAHMXBGLD-UHFFFAOYSA-N
XLogP2.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.38
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 1-(3-methoxypropyl)-6-methylindazole?
The IUPAC name of 1-(3-methoxypropyl)-6-methylindazole (CID 66596206) is 1-(3-methoxypropyl)-6-methylindazole.
What is the SMILES notation for 1-(3-methoxypropyl)-6-methylindazole?
The canonical SMILES for 1-(3-methoxypropyl)-6-methylindazole is COCCCn1ncc2ccc(C)cc21.
What is the InChIKey of 1-(3-methoxypropyl)-6-methylindazole?
The InChIKey is ZPPQJOAHMXBGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-4-5-11-9-13-14(12(11)8-10)6-3-7-15-2/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-6-methylindazole?
1-(3-methoxypropyl)-6-methylindazole has a molecular weight of 204.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-6-methylindazole is sourced from PubChem (CID 66596206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).