2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

C14H11N3O2S — CID 158102003

IUPAC2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(-c2ccccc2)n(-c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C14H11N3O2S/c1-9-7-12(10-5-3-2-4-6-10)17(16-9)14-15-11(8-20-14)13(18)19/h2-8H,1H3,(H,18,19)
InChIKeyMSXXYTBOCSDAHU-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 158102003) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID158102003
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(-c2ccccc2)n(-c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C14H11N3O2S/c1-9-7-12(10-5-3-2-4-6-10)17(16-9)14-15-11(8-20-14)13(18)19/h2-8H,1H3,(H,18,19)
InChIKeyMSXXYTBOCSDAHU-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-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

Related Compounds

2-[4-methyl-3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44612019
2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611631
2-[5-(3,4-difluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179271
2-(4-chloro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611633
2-(3,6-diphenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179873
2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179278
2-[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179254
4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 7140279
N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1478061
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
tricopper;tetrakis(2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1,3-thiazole);hexanitrate
CID 139176827
2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 121457656

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 158102003) is 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is Cc1cc(-c2ccccc2)n(-c2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is MSXXYTBOCSDAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-7-12(10-5-3-2-4-6-10)17(16-9)14-15-11(8-20-14)13(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 158102003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).