1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid

C9H9N3O2S — CID 131070981

IUPAC1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
SMILESCc1cc(-c2c(C(=O)O)cnn2C)sn1
InChIInChI=1S/C9H9N3O2S/c1-5-3-7(15-11-5)8-6(9(13)14)4-10-12(8)2/h3-4H,1-2H3,(H,13,14)
InChIKeyPRTKUXPTBQCAJJ-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.55
Rot. Bonds2

About 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid

1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid (PubChem CID 131070981) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
PubChem CID131070981
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
SMILESCc1cc(-c2c(C(=O)O)cnn2C)sn1
InChIInChI=1S/C9H9N3O2S/c1-5-3-7(15-11-5)8-6(9(13)14)4-10-12(8)2/h3-4H,1-2H3,(H,13,14)
InChIKeyPRTKUXPTBQCAJJ-UHFFFAOYSA-N
XLogP1.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
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CID 167964096
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5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
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1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
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1-methylpyrazole-4,5-dicarboxylic acid
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5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid (CID 131070981) is 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid is Cc1cc(-c2c(C(=O)O)cnn2C)sn1.
What is the InChIKey of 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid?
The InChIKey is PRTKUXPTBQCAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-3-7(15-11-5)8-6(9(13)14)4-10-12(8)2/h3-4H,1-2H3,(H,13,14).
What are the key properties of 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid?
1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid has a molecular weight of 223.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 131070981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).