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

C12H11BrN2O — CID 60873121

IUPAC1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C12H11BrN2O/c1-9-6-14-15(7-9)8-12(16)10-3-2-4-11(13)5-10/h2-7H,8H2,1H3
InChIKeyGECUVOZLVDMBJD-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.84
Rot. Bonds3

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

1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 60873121) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID60873121
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C12H11BrN2O/c1-9-6-14-15(7-9)8-12(16)10-3-2-4-11(13)5-10/h2-7H,8H2,1H3
InChIKeyGECUVOZLVDMBJD-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone
CID 61035282
1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone
CID 62770277
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
2-(benzotriazol-2-yl)-1-(3-bromophenyl)ethanone
CID 178069287
1-(3-bromophenyl)butan-1-one
CID 18417701
2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
CID 54909682
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
3-[2-(3-bromophenyl)-2-oxoethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340015
1-(3-bromophenyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethane-1,2-dione
CID 59772725
1-(4-bromophenyl)-2-(4-phenylpyrazol-1-yl)ethanone
CID 62770279
1-(3-bromophenyl)-2-iodoethanone
CID 22380807

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone (CID 60873121) is 1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is GECUVOZLVDMBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-9-6-14-15(7-9)8-12(16)10-3-2-4-11(13)5-10/h2-7H,8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone?
1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 279.14 g/mol, XLogP of 2.84, 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-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 60873121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).