2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone

C15H16N2O — CID 107331768

IUPAC2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
SMILESO=C(CC1CCC1)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H16N2O/c18-15(11-12-5-4-6-12)14-9-10-16-17(14)13-7-2-1-3-8-13/h1-3,7-10,12H,4-6,11H2
InChIKeyLLGFUSIBJPNJQX-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.25
Rot. Bonds4

About 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone

2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone (PubChem CID 107331768) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
PubChem CID107331768
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
SMILESO=C(CC1CCC1)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H16N2O/c18-15(11-12-5-4-6-12)14-9-10-16-17(14)13-7-2-1-3-8-13/h1-3,7-10,12H,4-6,11H2
InChIKeyLLGFUSIBJPNJQX-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
CID 107331673
2-cyclobutyl-1-(5-fluoro-1-phenylpyrazol-4-yl)ethanone
CID 114244061
3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331880
1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone
CID 107331683
2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 43340159
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154
2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197919
2-(1,4-diazepan-1-yl)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331630
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
2-phenylpyrazole-3-carbothioamide
CID 83387115

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone (CID 107331768) is 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone is O=C(CC1CCC1)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone?
The InChIKey is LLGFUSIBJPNJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(11-12-5-4-6-12)14-9-10-16-17(14)13-7-2-1-3-8-13/h1-3,7-10,12H,4-6,11H2.
What are the key properties of 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone?
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone is sourced from PubChem (CID 107331768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).