1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone

C14H20N2O — CID 115779788

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)C1C2CCCC21
InChIInChI=1S/C14H20N2O/c1-3-16-10(7-9(2)15-16)8-13(17)14-11-5-4-6-12(11)14/h7,11-12,14H,3-6,8H2,1-2H3
InChIKeyQYHTUPQPTXMORB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.37
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone

1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone (PubChem CID 115779788) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
PubChem CID115779788
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)C1C2CCCC21
InChIInChI=1S/C14H20N2O/c1-3-16-10(7-9(2)15-16)8-13(17)14-11-5-4-6-12(11)14/h7,11-12,14H,3-6,8H2,1-2H3
InChIKeyQYHTUPQPTXMORB-UHFFFAOYSA-N
XLogP2.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 80601563
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
1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779670
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
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)-4-(oxan-2-yl)butan-2-one
CID 115779759
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
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
CID 103447537

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone (CID 115779788) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone is CCn1nc(C)cc1CC(=O)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The InChIKey is QYHTUPQPTXMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16-10(7-9(2)15-16)8-13(17)14-11-5-4-6-12(11)14/h7,11-12,14H,3-6,8H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 115779788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).