1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone

C12H18N2O — CID 105459519

IUPAC1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C(C)C)c1C1CCC1
InChIInChI=1S/C12H18N2O/c1-8(2)14-12(10-5-4-6-10)11(7-13-14)9(3)15/h7-8,10H,4-6H2,1-3H3
InChIKeyAYEGLQXTOWLITR-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.93
Rot. Bonds3

About 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone

1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone (PubChem CID 105459519) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone
PubChem CID105459519
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C(C)C)c1C1CCC1
InChIInChI=1S/C12H18N2O/c1-8(2)14-12(10-5-4-6-10)11(7-13-14)9(3)15/h7-8,10H,4-6H2,1-3H3
InChIKeyAYEGLQXTOWLITR-UHFFFAOYSA-N
XLogP2.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone (CID 105459519) is 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone is CC(=O)c1cnn(C(C)C)c1C1CCC1.
What is the InChIKey of 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone?
The InChIKey is AYEGLQXTOWLITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)14-12(10-5-4-6-10)11(7-13-14)9(3)15/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone?
1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 105459519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).