1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone

C11H8Br2N2O — CID 61035282

IUPAC1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone
SMILESO=C(Cn1cc(Br)cn1)c1cccc(Br)c1
InChIInChI=1S/C11H8Br2N2O/c12-9-3-1-2-8(4-9)11(16)7-15-6-10(13)5-14-15/h1-6H,7H2
InChIKeyREBZLCRMCQSGEH-UHFFFAOYSA-N
MW344.01 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone

1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone (PubChem CID 61035282) has the molecular formula C11H8Br2N2O and a molecular weight of 344.01 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone
PubChem CID61035282
Molecular FormulaC11H8Br2N2O
Molecular Weight344.01 g/mol
Exact Mass341.90
IUPAC Name1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone
SMILESO=C(Cn1cc(Br)cn1)c1cccc(Br)c1
InChIInChI=1S/C11H8Br2N2O/c12-9-3-1-2-8(4-9)11(16)7-15-6-10(13)5-14-15/h1-6H,7H2
InChIKeyREBZLCRMCQSGEH-UHFFFAOYSA-N
XLogP3.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.01
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60873121
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2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone
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1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
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4-(4-bromopyrazol-1-yl)-1-phenylbutan-1-one
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2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone
CID 62770277
1-(4-bromophenyl)-2-(4-phenylpyrazol-1-yl)ethanone
CID 62770279
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-bromophenyl)-2-iodoethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone (CID 61035282) is 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone is O=C(Cn1cc(Br)cn1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone?
The InChIKey is REBZLCRMCQSGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O/c12-9-3-1-2-8(4-9)11(16)7-15-6-10(13)5-14-15/h1-6H,7H2.
What are the key properties of 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone?
1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone has a molecular weight of 344.01 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone is sourced from PubChem (CID 61035282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).