3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C11H6ClN3O2S — CID 29096480

IUPAC3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2c(Cl)cnn12
InChIInChI=1S/C11H6ClN3O2S/c12-6-5-13-15-8(11(16)17)4-7(14-10(6)15)9-2-1-3-18-9/h1-5H,(H,16,17)
InChIKeyABXMVFHWVFTPFI-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.81
Rot. Bonds2

About 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 29096480) has the molecular formula C11H6ClN3O2S and a molecular weight of 279.71 g/mol. Its IUPAC name is 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID29096480
Molecular FormulaC11H6ClN3O2S
Molecular Weight279.71 g/mol
Exact Mass278.99
IUPAC Name3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2c(Cl)cnn12
InChIInChI=1S/C11H6ClN3O2S/c12-6-5-13-15-8(11(16)17)4-7(14-10(6)15)9-2-1-3-18-9/h1-5H,(H,16,17)
InChIKeyABXMVFHWVFTPFI-UHFFFAOYSA-N
XLogP2.81
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 29096480) is 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2c(Cl)cnn12.
What is the InChIKey of 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is ABXMVFHWVFTPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S/c12-6-5-13-15-8(11(16)17)4-7(14-10(6)15)9-2-1-3-18-9/h1-5H,(H,16,17).
What are the key properties of 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 279.71 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 29096480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).