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

C8H7N3O2S — CID 19370602

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)[nH]n2)cs1
InChIInChI=1S/C8H7N3O2S/c1-4-9-7(3-14-4)5-2-6(8(12)13)11-10-5/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyVIWRSRSMVVJOSV-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.54
Rot. Bonds2

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

3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 19370602) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID19370602
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)[nH]n2)cs1
InChIInChI=1S/C8H7N3O2S/c1-4-9-7(3-14-4)5-2-6(8(12)13)11-10-5/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyVIWRSRSMVVJOSV-UHFFFAOYSA-N
XLogP1.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 83395844
3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid
CID 64592995
3-(5-carboxy-2,3-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117404379
3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
CID 70873436
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137007277
3-(3-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336053
5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434746
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid
CID 115586989
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
CID 134069675

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid (CID 19370602) is 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid is Cc1nc(-c2cc(C(=O)O)[nH]n2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is VIWRSRSMVVJOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-4-9-7(3-14-4)5-2-6(8(12)13)11-10-5/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid?
3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 19370602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).