2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone

C11H11BrN2OS — CID 105088833

IUPAC2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Br)s2)n(C)n1
InChIInChI=1S/C11H11BrN2OS/c1-7-5-9(14(2)13-7)10(15)6-8-3-4-11(12)16-8/h3-5H,6H2,1-2H3
InChIKeyKTCMRLOCLMHKDT-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.98
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone

2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 105088833) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID105088833
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Br)s2)n(C)n1
InChIInChI=1S/C11H11BrN2OS/c1-7-5-9(14(2)13-7)10(15)6-8-3-4-11(12)16-8/h3-5H,6H2,1-2H3
InChIKeyKTCMRLOCLMHKDT-UHFFFAOYSA-N
XLogP2.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromophenyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-carbothioate
CID 2744587
3-bromophenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate
CID 2744546
Ethanone, 1-[5-(5-trifluoromethyl-1-methylpyrazol-3-yl)-2-thienyl]-
CID 621250
1-[5-[5-(1,1-Difluoroethyl)-1-(fluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone
CID 89575508
1-[5-[1-(Fluoromethyl)-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone
CID 89575588
Heptane;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone
CID 143533767
1-[5-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone
CID 143533982
Ethane;heptane;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone;prop-1-ene
CID 143533986
(3,5-Dimethyl-1-pyrazolyl)methyl 2-thienyl ketone
CID 24215689
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-1-(thiophen2-yl)prop-2-en-1-one
CID 167993242
1-(5-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 61631888
1-[5-[5-(1,1-Difluoroprop-2-enyl)-1-ethylpyrazol-3-yl]thiophen-2-yl]ethanone
CID 149588337

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone (CID 105088833) is 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(C(=O)Cc2ccc(Br)s2)n(C)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is KTCMRLOCLMHKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-7-5-9(14(2)13-7)10(15)6-8-3-4-11(12)16-8/h3-5H,6H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 299.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 105088833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).