2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone

C14H15FN2O — CID 81274086

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(CC(=O)c2ccc(F)cc2C)n(C)n1
InChIInChI=1S/C14H15FN2O/c1-9-6-11(15)4-5-13(9)14(18)8-12-7-10(2)16-17(12)3/h4-7H,8H2,1-3H3
InChIKeyNNFSOGIZNZQDPZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.60
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone

2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 81274086) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
PubChem CID81274086
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(CC(=O)c2ccc(F)cc2C)n(C)n1
InChIInChI=1S/C14H15FN2O/c1-9-6-11(15)4-5-13(9)14(18)8-12-7-10(2)16-17(12)3/h4-7H,8H2,1-3H3
InChIKeyNNFSOGIZNZQDPZ-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105095663
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273633
1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978978
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978939
1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114979035
1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
CID 83171971
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114978856
1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 82685309
1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone (CID 81274086) is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone is Cc1cc(CC(=O)c2ccc(F)cc2C)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is NNFSOGIZNZQDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-6-11(15)4-5-13(9)14(18)8-12-7-10(2)16-17(12)3/h4-7H,8H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 246.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 81274086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).