5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole

C9H14N2O — CID 83414585

IUPAC5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCOC1CCc2c(cnn2C)C1
InChIInChI=1S/C9H14N2O/c1-11-9-4-3-8(12-2)5-7(9)6-10-11/h6,8H,3-5H2,1-2H3
InChIKeyZIEZLPNBLIQEFQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.92
Rot. Bonds1

About 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole

5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 83414585) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole
PubChem CID83414585
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCOC1CCc2c(cnn2C)C1
InChIInChI=1S/C9H14N2O/c1-11-9-4-3-8(12-2)5-7(9)6-10-11/h6,8H,3-5H2,1-2H3
InChIKeyZIEZLPNBLIQEFQ-UHFFFAOYSA-N
XLogP0.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole (CID 83414585) is 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole is COC1CCc2c(cnn2C)C1.
What is the InChIKey of 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is ZIEZLPNBLIQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-9-4-3-8(12-2)5-7(9)6-10-11/h6,8H,3-5H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole?
5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 166.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 83414585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).