5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one

C8H9N3O2S — CID 140960277

IUPAC5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
SMILESCc1cc(C)n(C2=CC(=O)NS2=O)n1
InChIInChI=1S/C8H9N3O2S/c1-5-3-6(2)11(9-5)8-4-7(12)10-14(8)13/h3-4H,1-2H3,(H,10,12)
InChIKeyWUNMYAOLCJVERU-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.09
Rot. Bonds1

About 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one

5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one (PubChem CID 140960277) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
PubChem CID140960277
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
SMILESCc1cc(C)n(C2=CC(=O)NS2=O)n1
InChIInChI=1S/C8H9N3O2S/c1-5-3-6(2)11(9-5)8-4-7(12)10-14(8)13/h3-4H,1-2H3,(H,10,12)
InChIKeyWUNMYAOLCJVERU-UHFFFAOYSA-N
XLogP0.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960441
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375
5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960532
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one
CID 687076
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
CID 129109952
5-(3,5-dimethylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
CID 976376
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
CID 12560600
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one (CID 140960277) is 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one is Cc1cc(C)n(C2=CC(=O)NS2=O)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The InChIKey is WUNMYAOLCJVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-5-3-6(2)11(9-5)8-4-7(12)10-14(8)13/h3-4H,1-2H3,(H,10,12).
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one?
5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one has a molecular weight of 211.25 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).