1-(2,5-dimethylindazol-3-yl)ethanone

C11H12N2O — CID 133055810

IUPAC1-(2,5-dimethylindazol-3-yl)ethanone
SMILESCC(=O)c1c2cc(C)ccc2nn1C
InChIInChI=1S/C11H12N2O/c1-7-4-5-10-9(6-7)11(8(2)14)13(3)12-10/h4-6H,1-3H3
InChIKeyDDIUKAVGILIKKB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.08
Rot. Bonds1

About 1-(2,5-dimethylindazol-3-yl)ethanone

1-(2,5-dimethylindazol-3-yl)ethanone (PubChem CID 133055810) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2,5-dimethylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylindazol-3-yl)ethanone
PubChem CID133055810
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(2,5-dimethylindazol-3-yl)ethanone
SMILESCC(=O)c1c2cc(C)ccc2nn1C
InChIInChI=1S/C11H12N2O/c1-7-4-5-10-9(6-7)11(8(2)14)13(3)12-10/h4-6H,1-3H3
InChIKeyDDIUKAVGILIKKB-UHFFFAOYSA-N
XLogP2.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylindazol-3-yl)ethanol
CID 133058650
1-(3-hydroxy-1,5-dimethylindol-2-yl)ethanone
CID 12511328
5-hydroxy-2-methylindazole-3-carboxylic acid
CID 69302554
methyl 5-chloro-2-methylindazole-3-carboxylate
CID 154725779
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
2-(2,6-dimethylindazol-3-yl)propanoic acid
CID 84724269
3,6-dimethyl-1,2,3-benzotriazin-4-one
CID 122431911
3-bromo-2,6-dimethylindazole
CID 84725646
3-iodo-2,6-dimethylindazole
CID 90223545
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
2-acetyl-3,7-dimethylquinazolin-4-one
CID 84784682
1-[5-(2,4-dimethylphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128339

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylindazol-3-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylindazol-3-yl)ethanone (CID 133055810) is 1-(2,5-dimethylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylindazol-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylindazol-3-yl)ethanone is CC(=O)c1c2cc(C)ccc2nn1C.
What is the InChIKey of 1-(2,5-dimethylindazol-3-yl)ethanone?
The InChIKey is DDIUKAVGILIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-5-10-9(6-7)11(8(2)14)13(3)12-10/h4-6H,1-3H3.
What are the key properties of 1-(2,5-dimethylindazol-3-yl)ethanone?
1-(2,5-dimethylindazol-3-yl)ethanone has a molecular weight of 188.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylindazol-3-yl)ethanone is sourced from PubChem (CID 133055810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).