5-tert-butyl-7-methoxy-2-methylindazole

C13H18N2O — CID 164740649

IUPAC5-tert-butyl-7-methoxy-2-methylindazole
SMILESCOc1cc(C(C)(C)C)cc2cn(C)nc12
InChIInChI=1S/C13H18N2O/c1-13(2,3)10-6-9-8-15(4)14-12(9)11(7-10)16-5/h6-8H,1-5H3
InChIKeyYDNHPJJWRCTKIS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds1

About 5-tert-butyl-7-methoxy-2-methylindazole

5-tert-butyl-7-methoxy-2-methylindazole (PubChem CID 164740649) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-tert-butyl-7-methoxy-2-methylindazole.

Molecular Properties

Compound Name5-tert-butyl-7-methoxy-2-methylindazole
PubChem CID164740649
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-tert-butyl-7-methoxy-2-methylindazole
SMILESCOc1cc(C(C)(C)C)cc2cn(C)nc12
InChIInChI=1S/C13H18N2O/c1-13(2,3)10-6-9-8-15(4)14-12(9)11(7-10)16-5/h6-8H,1-5H3
InChIKeyYDNHPJJWRCTKIS-UHFFFAOYSA-N
XLogP2.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-7-cyclopropyloxy-2-methylindazole
CID 164740631
7-methoxy-2-methylindazole-5-carbaldehyde
CID 117110214
5-tert-butyl-7-methoxy-2,1-benzoxazole
CID 164740635
2-(7-methoxy-2-methylindazol-5-yl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 178050629
6-methoxy-2,5-dimethylindazole
CID 162433035
5-tert-butyl-2-methylindazole
CID 68930740
ethane;6-methoxy-2-methylindazol-7-ol
CID 155591258
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
(2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate
CID 166340182
2,6-ditert-butyl-8-methoxyquinoxaline
CID 134411123
5-bromo-7-iodo-6-methoxy-2-methylindazole
CID 178051065
2-[6-[1-(2,2-dimethylpropyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
CID 168895492

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-methoxy-2-methylindazole?
The IUPAC name of 5-tert-butyl-7-methoxy-2-methylindazole (CID 164740649) is 5-tert-butyl-7-methoxy-2-methylindazole.
What is the SMILES notation for 5-tert-butyl-7-methoxy-2-methylindazole?
The canonical SMILES for 5-tert-butyl-7-methoxy-2-methylindazole is COc1cc(C(C)(C)C)cc2cn(C)nc12.
What is the InChIKey of 5-tert-butyl-7-methoxy-2-methylindazole?
The InChIKey is YDNHPJJWRCTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)10-6-9-8-15(4)14-12(9)11(7-10)16-5/h6-8H,1-5H3.
What are the key properties of 5-tert-butyl-7-methoxy-2-methylindazole?
5-tert-butyl-7-methoxy-2-methylindazole has a molecular weight of 218.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-methoxy-2-methylindazole is sourced from PubChem (CID 164740649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).