1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone

C12H10BrFN2O — CID 82869123

IUPAC1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C12H10BrFN2O/c1-16-3-2-11(15-16)7-12(17)8-4-9(13)6-10(14)5-8/h2-6H,7H2,1H3
InChIKeyZDHOXELIPKAALA-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.75
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 82869123) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID82869123
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C12H10BrFN2O/c1-16-3-2-11(15-16)7-12(17)8-4-9(13)6-10(14)5-8/h2-6H,7H2,1H3
InChIKeyZDHOXELIPKAALA-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64771713
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
1-(3-bromo-4-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793305
1-(3-bromo-5-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 66424220
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(4-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868497
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869703
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829
2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105123749
1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869841

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone (CID 82869123) is 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(CC(=O)c2cc(F)cc(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is ZDHOXELIPKAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-16-3-2-11(15-16)7-12(17)8-4-9(13)6-10(14)5-8/h2-6H,7H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 297.13 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 82869123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).