1-(1-ethylindazol-3-yl)-4-methylhexan-2-one

C16H22N2O — CID 114981110

IUPAC1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
SMILESCCC(C)CC(=O)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C16H22N2O/c1-4-12(3)10-13(19)11-15-14-8-6-7-9-16(14)18(5-2)17-15/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyFFPFUVTZJXHKOK-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.60
Rot. Bonds6

About 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one

1-(1-ethylindazol-3-yl)-4-methylhexan-2-one (PubChem CID 114981110) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one.

Molecular Properties

Compound Name1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
PubChem CID114981110
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
SMILESCCC(C)CC(=O)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C16H22N2O/c1-4-12(3)10-13(19)11-15-14-8-6-7-9-16(14)18(5-2)17-15/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyFFPFUVTZJXHKOK-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
CID 116613650
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
3-[(1-ethylindazol-3-yl)methylsulfonyl]butanoic acid
CID 66115028
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one?
The IUPAC name of 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one (CID 114981110) is 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one.
What is the SMILES notation for 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one?
The canonical SMILES for 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one is CCC(C)CC(=O)Cc1nn(CC)c2ccccc12.
What is the InChIKey of 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one?
The InChIKey is FFPFUVTZJXHKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-12(3)10-13(19)11-15-14-8-6-7-9-16(14)18(5-2)17-15/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one?
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one has a molecular weight of 258.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-3-yl)-4-methylhexan-2-one is sourced from PubChem (CID 114981110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).