1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone

C16H26N2O — CID 80601563

IUPAC1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)C1CCCCCCC1
InChIInChI=1S/C16H26N2O/c1-3-18-15(11-13(2)17-18)12-16(19)14-9-7-5-4-6-8-10-14/h11,14H,3-10,12H2,1-2H3
InChIKeyKCTXYEMHYHDKFM-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds4

About 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone

1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone (PubChem CID 80601563) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
PubChem CID80601563
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)C1CCCCCCC1
InChIInChI=1S/C16H26N2O/c1-3-18-15(11-13(2)17-18)12-16(19)14-9-7-5-4-6-8-10-14/h11,14H,3-10,12H2,1-2H3
InChIKeyKCTXYEMHYHDKFM-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779788
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one
CID 115779759
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 116573207
2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609657
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
CID 103447537
1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779670
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone (CID 80601563) is 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone is CCn1nc(C)cc1CC(=O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The InChIKey is KCTXYEMHYHDKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18-15(11-13(2)17-18)12-16(19)14-9-7-5-4-6-8-10-14/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 80601563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).