1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone

C17H22N2O — CID 114979035

IUPAC1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)c2ccccc2C(C)(C)C)n(C)n1
InChIInChI=1S/C17H22N2O/c1-12-10-13(19(5)18-12)11-16(20)14-8-6-7-9-15(14)17(2,3)4/h6-10H,11H2,1-5H3
InChIKeyONQNWVUWDFFYHP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone

1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 114979035) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID114979035
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)c2ccccc2C(C)(C)C)n(C)n1
InChIInChI=1S/C17H22N2O/c1-12-10-13(19(5)18-12)11-16(20)14-8-6-7-9-15(14)17(2,3)4/h6-10H,11H2,1-5H3
InChIKeyONQNWVUWDFFYHP-UHFFFAOYSA-N
XLogP3.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978978
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978939
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone
CID 105108396
1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one
CID 23071301
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
1-(2,5-dimethylpyrazol-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105108407
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
1-(2-tert-butylphenyl)-2-(4-iodophenyl)ethanone
CID 114974201

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (CID 114979035) is 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(CC(=O)c2ccccc2C(C)(C)C)n(C)n1.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is ONQNWVUWDFFYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-10-13(19(5)18-12)11-16(20)14-8-6-7-9-15(14)17(2,3)4/h6-10H,11H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114979035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).