1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone

C13H16N2O3 — CID 112757846

IUPAC1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone
SMILESCOCCOc1nn(C)c2cc(C(C)=O)ccc12
InChIInChI=1S/C13H16N2O3/c1-9(16)10-4-5-11-12(8-10)15(2)14-13(11)18-7-6-17-3/h4-5,8H,6-7H2,1-3H3
InChIKeyAPONNWMEIZLURY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.80
Rot. Bonds5

About 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone

1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone (PubChem CID 112757846) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone
PubChem CID112757846
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone
SMILESCOCCOc1nn(C)c2cc(C(C)=O)ccc12
InChIInChI=1S/C13H16N2O3/c1-9(16)10-4-5-11-12(8-10)15(2)14-13(11)18-7-6-17-3/h4-5,8H,6-7H2,1-3H3
InChIKeyAPONNWMEIZLURY-UHFFFAOYSA-N
XLogP1.80
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid
CID 112757809
1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
CID 162429447
methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
CID 156503325
4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
CID 100820914
methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 164580306
1-(3-chloro-1-ethylindazol-6-yl)ethanone
CID 84725186
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
1-(2-methylbenzotriazol-5-yl)ethanone
CID 84750928
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone
CID 172651144
methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
CID 19084962
1-(1,3-diacetylindol-6-yl)ethanone
CID 12823062

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone?
The IUPAC name of 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone (CID 112757846) is 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone?
The canonical SMILES for 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone is COCCOc1nn(C)c2cc(C(C)=O)ccc12.
What is the InChIKey of 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone?
The InChIKey is APONNWMEIZLURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)10-4-5-11-12(8-10)15(2)14-13(11)18-7-6-17-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone?
1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone has a molecular weight of 248.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone is sourced from PubChem (CID 112757846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).