1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone

C15H16BrFN2O — CID 114905757

IUPAC1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc(Br)cc2F)n(CC)n1
InChIInChI=1S/C15H16BrFN2O/c1-3-11-8-12(19(4-2)18-11)9-15(20)13-6-5-10(16)7-14(13)17/h5-8H,3-4,9H2,1-2H3
InChIKeyQTJJQERURVWSSW-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.79
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone

1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone (PubChem CID 114905757) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
PubChem CID114905757
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc(Br)cc2F)n(CC)n1
InChIInChI=1S/C15H16BrFN2O/c1-3-11-8-12(19(4-2)18-11)9-15(20)13-6-5-10(16)7-14(13)17/h5-8H,3-4,9H2,1-2H3
InChIKeyQTJJQERURVWSSW-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114905960
1-(4-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66055470
1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 116602446
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 113398236
1-(5-bromo-2-iodophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 114032476
1-(4,5-dibromothiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778844
1-(3-bromo-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778986
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 114980916
1-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 114905791

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone (CID 114905757) is 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)c2ccc(Br)cc2F)n(CC)n1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The InChIKey is QTJJQERURVWSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-11-8-12(19(4-2)18-11)9-15(20)13-6-5-10(16)7-14(13)17/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone has a molecular weight of 339.21 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114905757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).