7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C17H11N3O2S — CID 10448741

IUPAC7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(-c3cccc(-c4ccsc4)c3)n2n1
InChIInChI=1S/C17H11N3O2S/c21-17(22)14-9-16-18-6-4-15(20(16)19-14)12-3-1-2-11(8-12)13-5-7-23-10-13/h1-10H,(H,21,22)
InChIKeyHSUGQIPLERDTTE-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.82
Rot. Bonds3

About 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 10448741) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID10448741
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(-c3cccc(-c4ccsc4)c3)n2n1
InChIInChI=1S/C17H11N3O2S/c21-17(22)14-9-16-18-6-4-15(20(16)19-14)12-3-1-2-11(8-12)13-5-7-23-10-13/h1-10H,(H,21,22)
InChIKeyHSUGQIPLERDTTE-UHFFFAOYSA-N
XLogP3.82
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 10448741) is 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nccc(-c3cccc(-c4ccsc4)c3)n2n1.
What is the InChIKey of 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is HSUGQIPLERDTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-17(22)14-9-16-18-6-4-15(20(16)19-14)12-3-1-2-11(8-12)13-5-7-23-10-13/h1-10H,(H,21,22).
What are the key properties of 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 321.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 10448741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).