3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid

C14H11N3O2S — CID 43324323

IUPAC3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccccn3)cc2C(=O)O)s1
InChIInChI=1S/C14H11N3O2S/c1-9-5-6-11(20-9)13-10(14(18)19)8-17(16-13)12-4-2-3-7-15-12/h2-8H,1H3,(H,18,19)
InChIKeyKJHGJQOKAWQXHL-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.00
Rot. Bonds3

About 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid

3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 43324323) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID43324323
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccccn3)cc2C(=O)O)s1
InChIInChI=1S/C14H11N3O2S/c1-9-5-6-11(20-9)13-10(14(18)19)8-17(16-13)12-4-2-3-7-15-12/h2-8H,1H3,(H,18,19)
InChIKeyKJHGJQOKAWQXHL-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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Related Compounds

3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43324311
1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid
CID 43324362
3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 43439149
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid
CID 43542847
1-pyrimidin-2-yl-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43531850
3-[[3-(5-methylthiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 142738645
3-(5-ethylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 61333576
1-(3-morpholin-4-yl-1-pyridin-2-ylpyrazol-4-yl)ethanone
CID 157391037
3-(4-bromothiophen-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 107354898
1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43381532
2-chloro-5-[[3-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbonyl]amino]benzoic acid
CID 143451800
potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide
CID 157101588

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid (CID 43324323) is 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid is Cc1ccc(-c2nn(-c3ccccn3)cc2C(=O)O)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is KJHGJQOKAWQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-5-6-11(20-9)13-10(14(18)19)8-17(16-13)12-4-2-3-7-15-12/h2-8H,1H3,(H,18,19).
What are the key properties of 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-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 3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43324323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).