5,6-dimethoxy-1-methyl-3-propan-2-ylindazole

C13H18N2O2 — CID 164758234

IUPAC5,6-dimethoxy-1-methyl-3-propan-2-ylindazole
SMILESCOc1cc2c(C(C)C)nn(C)c2cc1OC
InChIInChI=1S/C13H18N2O2/c1-8(2)13-9-6-11(16-4)12(17-5)7-10(9)15(3)14-13/h6-8H,1-5H3
InChIKeyUUXAZECRSBQTTD-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.71
Rot. Bonds3

About 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole

5,6-dimethoxy-1-methyl-3-propan-2-ylindazole (PubChem CID 164758234) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole.

Molecular Properties

Compound Name5,6-dimethoxy-1-methyl-3-propan-2-ylindazole
PubChem CID164758234
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5,6-dimethoxy-1-methyl-3-propan-2-ylindazole
SMILESCOc1cc2c(C(C)C)nn(C)c2cc1OC
InChIInChI=1S/C13H18N2O2/c1-8(2)13-9-6-11(16-4)12(17-5)7-10(9)15(3)14-13/h6-8H,1-5H3
InChIKeyUUXAZECRSBQTTD-UHFFFAOYSA-N
XLogP2.71
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-fluoro-1-methyl-3,6-di(propan-2-yl)indazole
CID 170569644
5-fluoro-1-methyl-3-propan-2-ylindazole
CID 118489326
4-methoxy-1-methyl-3-propan-2-ylpyrazole
CID 163957841
6-butan-2-yl-1-methyl-3-propan-2-ylindazole
CID 174350260
5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658
5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine
CID 162725875
3,5-dichloro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine
CID 178139480
1-hydroxy-6,7-dimethoxyquinazolin-4-one
CID 141109188
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995
6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
CID 167049049
6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline
CID 164758170

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole?
The IUPAC name of 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole (CID 164758234) is 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole.
What is the SMILES notation for 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole?
The canonical SMILES for 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole is COc1cc2c(C(C)C)nn(C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole?
The InChIKey is UUXAZECRSBQTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)13-9-6-11(16-4)12(17-5)7-10(9)15(3)14-13/h6-8H,1-5H3.
What are the key properties of 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole?
5,6-dimethoxy-1-methyl-3-propan-2-ylindazole has a molecular weight of 234.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-methyl-3-propan-2-ylindazole is sourced from PubChem (CID 164758234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).