1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one

C11H16N2O — CID 83878117

IUPAC1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnn(C2CCC2)c1
InChIInChI=1S/C11H16N2O/c1-8(2)11(14)9-6-12-13(7-9)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeySRGKIDWEYDMINJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.45
Rot. Bonds3

About 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one

1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one (PubChem CID 83878117) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one
PubChem CID83878117
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnn(C2CCC2)c1
InChIInChI=1S/C11H16N2O/c1-8(2)11(14)9-6-12-13(7-9)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeySRGKIDWEYDMINJ-UHFFFAOYSA-N
XLogP2.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one (CID 83878117) is 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one?
The InChIKey is SRGKIDWEYDMINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)11(14)9-6-12-13(7-9)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one?
1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 83878117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).