2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone

C11H10Cl2N2OS — CID 114979149

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone
SMILESCc1nn(C)c(CC(=O)c2sccc2Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2OS/c1-6-10(13)8(15(2)14-6)5-9(16)11-7(12)3-4-17-11/h3-4H,5H2,1-2H3
InChIKeyOIANRMGNWJUOFH-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone (PubChem CID 114979149) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone
PubChem CID114979149
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone
SMILESCc1nn(C)c(CC(=O)c2sccc2Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2OS/c1-6-10(13)8(15(2)14-6)5-9(16)11-7(12)3-4-17-11/h3-4H,5H2,1-2H3
InChIKeyOIANRMGNWJUOFH-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 114979201
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114979264
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
CID 114979116
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448080
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114980597
1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone
CID 80645182
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790359
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
CID 115345653
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 114979273
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273633
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone (CID 114979149) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone is Cc1nn(C)c(CC(=O)c2sccc2Cl)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone?
The InChIKey is OIANRMGNWJUOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-6-10(13)8(15(2)14-6)5-9(16)11-7(12)3-4-17-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone has a molecular weight of 289.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 114979149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).