2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone

C18H24N2O — CID 106829628

IUPAC2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
SMILESCCn1nc(CC(=O)C2(C)CCCCC2)c2ccccc21
InChIInChI=1S/C18H24N2O/c1-3-20-16-10-6-5-9-14(16)15(19-20)13-17(21)18(2)11-7-4-8-12-18/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeySOYOIEHCJGUTPQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.14
Rot. Bonds4

About 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone

2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone (PubChem CID 106829628) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
PubChem CID106829628
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
SMILESCCn1nc(CC(=O)C2(C)CCCCC2)c2ccccc21
InChIInChI=1S/C18H24N2O/c1-3-20-16-10-6-5-9-14(16)15(19-20)13-17(21)18(2)11-7-4-8-12-18/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeySOYOIEHCJGUTPQ-UHFFFAOYSA-N
XLogP4.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79841973
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
CID 103450366
2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
CID 80684499
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
1-[(1-ethylindazol-3-yl)methyl]cyclopropan-1-amine
CID 66025770
1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
CID 116560043
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
CID 116559188
1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
CID 116558804
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone?
The IUPAC name of 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone (CID 106829628) is 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone is CCn1nc(CC(=O)C2(C)CCCCC2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone?
The InChIKey is SOYOIEHCJGUTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-20-16-10-6-5-9-14(16)15(19-20)13-17(21)18(2)11-7-4-8-12-18/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone?
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone is sourced from PubChem (CID 106829628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).