7-tert-butyl-5-methoxy-1-methylindazole

C13H18N2O — CID 167409775

IUPAC7-tert-butyl-5-methoxy-1-methylindazole
SMILESCOc1cc(C(C)(C)C)c2c(cnn2C)c1
InChIInChI=1S/C13H18N2O/c1-13(2,3)11-7-10(16-5)6-9-8-14-15(4)12(9)11/h6-8H,1-5H3
InChIKeyLGFLIQLDUGQSQU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds1

About 7-tert-butyl-5-methoxy-1-methylindazole

7-tert-butyl-5-methoxy-1-methylindazole (PubChem CID 167409775) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-tert-butyl-5-methoxy-1-methylindazole.

Molecular Properties

Compound Name7-tert-butyl-5-methoxy-1-methylindazole
PubChem CID167409775
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name7-tert-butyl-5-methoxy-1-methylindazole
SMILESCOc1cc(C(C)(C)C)c2c(cnn2C)c1
InChIInChI=1S/C13H18N2O/c1-13(2,3)11-7-10(16-5)6-9-8-14-15(4)12(9)11/h6-8H,1-5H3
InChIKeyLGFLIQLDUGQSQU-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

7-chloro-5-methoxy-1-methylindazole
CID 84667229
2,6-ditert-butyl-4-methoxyphenol
CID 10269
[1-methyl-7-(trifluoromethyl)indazol-5-yl]boronic acid
CID 168719846
3-tert-butyl-5-methoxy-2-methylpyridine
CID 166004066
1-tert-butyl-2,3-dichloro-5-methoxybenzene
CID 121288639
2-tert-butyl-4-methoxyphenolate
CID 19016621
N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625831
8-tert-butyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 166563415
3-tert-butyl-6-methoxy-8-methylquinolin-2-amine
CID 63385968
5-(4-methoxyphenoxy)-2-methylpyridazin-3-one
CID 10561535
7-bromo-6-methoxy-1-methylindazole
CID 171662295
5-chloro-1,7-dimethylindazole
CID 121266447

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-methoxy-1-methylindazole?
The IUPAC name of 7-tert-butyl-5-methoxy-1-methylindazole (CID 167409775) is 7-tert-butyl-5-methoxy-1-methylindazole.
What is the SMILES notation for 7-tert-butyl-5-methoxy-1-methylindazole?
The canonical SMILES for 7-tert-butyl-5-methoxy-1-methylindazole is COc1cc(C(C)(C)C)c2c(cnn2C)c1.
What is the InChIKey of 7-tert-butyl-5-methoxy-1-methylindazole?
The InChIKey is LGFLIQLDUGQSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)11-7-10(16-5)6-9-8-14-15(4)12(9)11/h6-8H,1-5H3.
What are the key properties of 7-tert-butyl-5-methoxy-1-methylindazole?
7-tert-butyl-5-methoxy-1-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 7-tert-butyl-5-methoxy-1-methylindazole is sourced from PubChem (CID 167409775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).