2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone

C10H9BrN2OS — CID 65195473

IUPAC2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cc2sccc2Br)n1
InChIInChI=1S/C10H9BrN2OS/c1-13-4-2-8(12-13)9(14)6-10-7(11)3-5-15-10/h2-5H,6H2,1H3
InChIKeyYMUSTPOPKRIHNF-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.67
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone

2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 65195473) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID65195473
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cc2sccc2Br)n1
InChIInChI=1S/C10H9BrN2OS/c1-13-4-2-8(12-13)9(14)6-10-7(11)3-5-15-10/h2-5H,6H2,1H3
InChIKeyYMUSTPOPKRIHNF-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105092789
1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825110
2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195468
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(3-bromothiophen-2-yl)ethanone
CID 116585266
2-(3-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 105092870
2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 130631003
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124381
1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 103130364

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone (CID 65195473) is 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(C(=O)Cc2sccc2Br)n1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is YMUSTPOPKRIHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-13-4-2-8(12-13)9(14)6-10-7(11)3-5-15-10/h2-5H,6H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone?
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 285.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 65195473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).