2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone

C12H10Br2N2O2 — CID 4133152

IUPAC2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(C(=O)COc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H10Br2N2O2/c1-8-4-5-16(15-8)12(17)7-18-11-3-2-9(13)6-10(11)14/h2-6H,7H2,1H3
InChIKeyKVHITTGMXAIKJP-UHFFFAOYSA-N
MW374.03 g/mol
LogP3.44
Rot. Bonds3

About 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone

2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone (PubChem CID 4133152) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone
PubChem CID4133152
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(C(=O)COc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H10Br2N2O2/c1-8-4-5-16(15-8)12(17)7-18-11-3-2-9(13)6-10(11)14/h2-6H,7H2,1H3
InChIKeyKVHITTGMXAIKJP-UHFFFAOYSA-N
XLogP3.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
2-(2-bromo-4-ethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 833448
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
3-[2-(2,4-dibromophenoxy)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792828
2-(2,4-dibromophenoxy)-N'-hydroxyethanimidamide
CID 76874127
2-(2,4-dibromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 17477090
5-bromo-2-[2-(2,4-dibromophenoxy)acetyl]oxybenzoic acid
CID 54854409
2-(2,4-dibromophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403399
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(2-bromo-4-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403271

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone (CID 4133152) is 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone is Cc1ccn(C(=O)COc2ccc(Br)cc2Br)n1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone?
The InChIKey is KVHITTGMXAIKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-8-4-5-16(15-8)12(17)7-18-11-3-2-9(13)6-10(11)14/h2-6H,7H2,1H3.
What are the key properties of 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone?
2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone has a molecular weight of 374.03 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 4133152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).