1-(7-methylindazol-1-yl)ethanone

C10H10N2O — CID 12639175

IUPAC1-(7-methylindazol-1-yl)ethanone
SMILESCC(=O)n1ncc2cccc(C)c21
InChIInChI=1S/C10H10N2O/c1-7-4-3-5-9-6-11-12(8(2)13)10(7)9/h3-6H,1-2H3
InChIKeyVUWFNHUMLCSMPR-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.00
Rot. Bonds

About 1-(7-methylindazol-1-yl)ethanone

1-(7-methylindazol-1-yl)ethanone (PubChem CID 12639175) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(7-methylindazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-methylindazol-1-yl)ethanone
PubChem CID12639175
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-(7-methylindazol-1-yl)ethanone
SMILESCC(=O)n1ncc2cccc(C)c21
InChIInChI=1S/C10H10N2O/c1-7-4-3-5-9-6-11-12(8(2)13)10(7)9/h3-6H,1-2H3
InChIKeyVUWFNHUMLCSMPR-UHFFFAOYSA-N
XLogP2.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromoindazol-1-yl)ethanone
CID 15278610
(7-fluoroindazol-1-yl) acetate
CID 88995841
2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione
CID 135010796
1-(4-methylbenzotriazol-1-yl)ethanone
CID 134294737
7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide
CID 154709182
1-[5-amino-3-(2-methylphenyl)-1,2,4-triazol-1-yl]ethanone
CID 53003418
1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid
CID 138754350
1-(4-fluoroindazol-1-yl)ethanone
CID 91083583
1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one
CID 75767441
1,2-di(indazol-1-yl)ethane-1,2-dione
CID 139197503
1-(3,8-dimethylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 84661486
1-(5-bromopyrazolo[3,4-c]pyridin-1-yl)ethanone
CID 72698524

Frequently Asked Questions

What is the IUPAC name of 1-(7-methylindazol-1-yl)ethanone?
The IUPAC name of 1-(7-methylindazol-1-yl)ethanone (CID 12639175) is 1-(7-methylindazol-1-yl)ethanone.
What is the SMILES notation for 1-(7-methylindazol-1-yl)ethanone?
The canonical SMILES for 1-(7-methylindazol-1-yl)ethanone is CC(=O)n1ncc2cccc(C)c21.
What is the InChIKey of 1-(7-methylindazol-1-yl)ethanone?
The InChIKey is VUWFNHUMLCSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-4-3-5-9-6-11-12(8(2)13)10(7)9/h3-6H,1-2H3.
What are the key properties of 1-(7-methylindazol-1-yl)ethanone?
1-(7-methylindazol-1-yl)ethanone has a molecular weight of 174.20 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylindazol-1-yl)ethanone is sourced from PubChem (CID 12639175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).