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

C12H10BrFN2O — CID 65195468

IUPAC2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H10BrFN2O/c1-16-5-4-11(15-16)12(17)7-8-6-9(14)2-3-10(8)13/h2-6H,7H2,1H3
InChIKeyOCRZXMVKTNGEIM-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.75
Rot. Bonds3

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

2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 65195468) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID65195468
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H10BrFN2O/c1-16-5-4-11(15-16)12(17)7-8-6-9(14)2-3-10(8)13/h2-6H,7H2,1H3
InChIKeyOCRZXMVKTNGEIM-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

2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
2-(2-bromo-5-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105090170
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 107501548
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 130631003
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone
CID 105090121
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 103130364
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195470

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone (CID 65195468) is 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(C(=O)Cc2cc(F)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is OCRZXMVKTNGEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-16-5-4-11(15-16)12(17)7-8-6-9(14)2-3-10(8)13/h2-6H,7H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(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 2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 65195468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).