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

C15H16BrFN2O — CID 105090121

IUPAC2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(C(=O)Cc2cc(F)ccc2Br)n(CC)n1
InChIInChI=1S/C15H16BrFN2O/c1-3-12-9-14(19(4-2)18-12)15(20)8-10-7-11(17)5-6-13(10)16/h5-7,9H,3-4,8H2,1-2H3
InChIKeyVLRMXNHBZMKGFA-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.79
Rot. Bonds5

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

2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone (PubChem CID 105090121) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone
PubChem CID105090121
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(C(=O)Cc2cc(F)ccc2Br)n(CC)n1
InChIInChI=1S/C15H16BrFN2O/c1-3-12-9-14(19(4-2)18-12)15(20)8-10-7-11(17)5-6-13(10)16/h5-7,9H,3-4,8H2,1-2H3
InChIKeyVLRMXNHBZMKGFA-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-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone
CID 105082420
2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195468
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730447
1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063028
(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 105123639
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-5-fluorophenyl)ethanone
CID 115779453
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(2-bromo-5-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105090170
4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 65358559
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone (CID 105090121) is 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone is CCc1cc(C(=O)Cc2cc(F)ccc2Br)n(CC)n1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone?
The InChIKey is VLRMXNHBZMKGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-12-9-14(19(4-2)18-12)15(20)8-10-7-11(17)5-6-13(10)16/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(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 2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 105090121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).