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

C15H13N3O2S — CID 71104706

IUPAC5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid
SMILESCc1ccccc1-c1csc(-n2ncc(C(=O)O)c2C)n1
InChIInChI=1S/C15H13N3O2S/c1-9-5-3-4-6-11(9)13-8-21-15(17-13)18-10(2)12(7-16-18)14(19)20/h3-8H,1-2H3,(H,19,20)
InChIKeyWONZZSQVIONUBM-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.31
Rot. Bonds3

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

5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid (PubChem CID 71104706) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid
PubChem CID71104706
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid
SMILESCc1ccccc1-c1csc(-n2ncc(C(=O)O)c2C)n1
InChIInChI=1S/C15H13N3O2S/c1-9-5-3-4-6-11(9)13-8-21-15(17-13)18-10(2)12(7-16-18)14(19)20/h3-8H,1-2H3,(H,19,20)
InChIKeyWONZZSQVIONUBM-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid (CID 71104706) is 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid is Cc1ccccc1-c1csc(-n2ncc(C(=O)O)c2C)n1.
What is the InChIKey of 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is WONZZSQVIONUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-5-3-4-6-11(9)13-8-21-15(17-13)18-10(2)12(7-16-18)14(19)20/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid?
5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 71104706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).