1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone

C14H14ClFN2O — CID 107996478

IUPAC1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2O/c1-3-18-11(6-9(2)17-18)8-14(19)10-4-5-12(15)13(16)7-10/h4-7H,3,8H2,1-2H3
InChIKeyNIJYBMSKHFNEMZ-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone

1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone (PubChem CID 107996478) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
PubChem CID107996478
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2O/c1-3-18-11(6-9(2)17-18)8-14(19)10-4-5-12(15)13(16)7-10/h4-7H,3,8H2,1-2H3
InChIKeyNIJYBMSKHFNEMZ-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115779676
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone
CID 115779650
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768
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
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
1-(4-chloro-3-fluorophenyl)butan-1-one
CID 70297429
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115779560
1-(2,5-dimethylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779644
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 107996468

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone (CID 107996478) is 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone is CCn1nc(C)cc1CC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The InChIKey is NIJYBMSKHFNEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-3-18-11(6-9(2)17-18)8-14(19)10-4-5-12(15)13(16)7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone has a molecular weight of 280.73 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 107996478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).