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

C14H11N3O2S — CID 134397282

IUPAC5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1ncc(-c2ccccc2)s1
InChIInChI=1S/C14H11N3O2S/c1-9-7-11(13(18)19)16-17(9)14-15-8-12(20-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeyXEXJPZSHNKRCCA-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.00
Rot. Bonds3

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

5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid (PubChem CID 134397282) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
PubChem CID134397282
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1ncc(-c2ccccc2)s1
InChIInChI=1S/C14H11N3O2S/c1-9-7-11(13(18)19)16-17(9)14-15-8-12(20-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeyXEXJPZSHNKRCCA-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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid (CID 134397282) is 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1ncc(-c2ccccc2)s1.
What is the InChIKey of 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is XEXJPZSHNKRCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-7-11(13(18)19)16-17(9)14-15-8-12(20-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19).
What are the key properties of 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-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 5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 134397282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).