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

C8H7N3O2S — CID 134397399

IUPAC5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2nccs2)n1
InChIInChI=1S/C8H7N3O2S/c1-5-4-6(7(12)13)11(10-5)8-9-2-3-14-8/h2-4H,1H3,(H,12,13)
InChIKeyLZIJXTODERMQPZ-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.34
Rot. Bonds2

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

5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid (PubChem CID 134397399) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
PubChem CID134397399
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2nccs2)n1
InChIInChI=1S/C8H7N3O2S/c1-5-4-6(7(12)13)11(10-5)8-9-2-3-14-8/h2-4H,1H3,(H,12,13)
InChIKeyLZIJXTODERMQPZ-UHFFFAOYSA-N
XLogP1.34
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid (CID 134397399) is 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(-c2nccs2)n1.
What is the InChIKey of 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is LZIJXTODERMQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-5-4-6(7(12)13)11(10-5)8-9-2-3-14-8/h2-4H,1H3,(H,12,13).
What are the key properties of 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 134397399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).