1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone

C12H10Br2N2O — CID 114639897

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone
SMILESCn1ncc(Br)c1C(=O)Cc1ccccc1Br
InChIInChI=1S/C12H10Br2N2O/c1-16-12(10(14)7-15-16)11(17)6-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3
InChIKeyASZNABHQUZLORY-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.37
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone (PubChem CID 114639897) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone
PubChem CID114639897
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone
SMILESCn1ncc(Br)c1C(=O)Cc1ccccc1Br
InChIInChI=1S/C12H10Br2N2O/c1-16-12(10(14)7-15-16)11(17)6-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3
InChIKeyASZNABHQUZLORY-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone
CID 114639397
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-bromophenyl)ethanone
CID 114639902
1-(4-bromo-1-methylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638769
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
1-(4-bromo-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 114639107
2-(2-bromophenyl)-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]ethanone
CID 114639901
1-(4-bromo-1-methylpyrazol-5-yl)decan-1-one
CID 115814816
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114639523
2-[2-(4-bromo-1-methylpyrazol-5-yl)-2-oxoethyl]-2-methylcyclohexane-1,3-dione
CID 165123288
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
CID 58446907
2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone
CID 63977072

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone (CID 114639897) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone is Cn1ncc(Br)c1C(=O)Cc1ccccc1Br.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone?
The InChIKey is ASZNABHQUZLORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-16-12(10(14)7-15-16)11(17)6-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone has a molecular weight of 358.03 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone is sourced from PubChem (CID 114639897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).