5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H4ClN3O2 — CID 71627116

IUPAC5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(Cl)nc12
InChIInChI=1S/C7H4ClN3O2/c8-5-1-2-11-6(10-5)4(3-9-11)7(12)13/h1-3H,(H,12,13)
InChIKeySAMKKKTWKGAXIC-UHFFFAOYSA-N
MW197.58 g/mol
LogP1.08
Rot. Bonds1

About 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 71627116) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID71627116
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(Cl)nc12
InChIInChI=1S/C7H4ClN3O2/c8-5-1-2-11-6(10-5)4(3-9-11)7(12)13/h1-3H,(H,12,13)
InChIKeySAMKKKTWKGAXIC-UHFFFAOYSA-N
XLogP1.08
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloropyrazolo[1,5-a]pyrimidine-3-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 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 71627116) is 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(Cl)nc12.
What is the InChIKey of 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is SAMKKKTWKGAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-5-1-2-11-6(10-5)4(3-9-11)7(12)13/h1-3H,(H,12,13).
What are the key properties of 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 197.58 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 71627116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).