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

C9H9N3O2S — CID 1498250

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(C)n(-c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C9H9N3O2S/c1-5-3-6(2)12(11-5)9-10-7(4-15-9)8(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyLGYCXBIJEFYBLG-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.64
Rot. Bonds2

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

2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 1498250) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID1498250
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(C)n(-c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C9H9N3O2S/c1-5-3-6(2)12(11-5)9-10-7(4-15-9)8(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyLGYCXBIJEFYBLG-UHFFFAOYSA-N
XLogP1.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 1472850
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 737576
2-[Methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 67254023
2-[3-(2-Methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 1498288
2-[3-(propan-2-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 1498289
2-[4-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-1-piperazinyl]-4-thiazolecarboxylic acid
CID 67151088
3-(Trifluoromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid
CID 141497297
2-[2-[[2-[3-(Difluoromethyl)-5-methylpyrazol-1-yl]acetyl]-methylamino]ethyl-methylamino]-1,3-thiazole-4-carboxylic acid
CID 144208275
4-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
CID 1472836
2-[3-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 1496716
Methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 1497060
2-[3-Tert-butyl-5-(1,1,2,2-tetrafluoroethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 1498304

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 1498250) is 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is Cc1cc(C)n(-c2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is LGYCXBIJEFYBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-3-6(2)12(11-5)9-10-7(4-15-9)8(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 223.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 1498250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).