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

C9H9N3O2S — CID 176658912

IUPAC5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1nccs1
InChIInChI=1S/C9H9N3O2S/c1-2-7-6(8(13)14)5-11-12(7)9-10-3-4-15-9/h3-5H,2H2,1H3,(H,13,14)
InChIKeyHLILDPAVQJGSHH-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.59
Rot. Bonds3

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

5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid (PubChem CID 176658912) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
PubChem CID176658912
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1nccs1
InChIInChI=1S/C9H9N3O2S/c1-2-7-6(8(13)14)5-11-12(7)9-10-3-4-15-9/h3-5H,2H2,1H3,(H,13,14)
InChIKeyHLILDPAVQJGSHH-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-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-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid (CID 176658912) is 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid is CCc1c(C(=O)O)cnn1-c1nccs1.
What is the InChIKey of 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is HLILDPAVQJGSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-2-7-6(8(13)14)5-11-12(7)9-10-3-4-15-9/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 223.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 176658912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).