5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H8ClN3O3 — CID 15958272

IUPAC5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2c(=O)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C13H8ClN3O3/c14-9-4-2-1-3-7(9)10-5-11(18)17-12(16-10)8(6-15-17)13(19)20/h1-6,15H,(H,19,20)
InChIKeyRHHDNNAZUXUZOL-UHFFFAOYSA-N
MW289.68 g/mol
LogP2.04
Rot. Bonds2

About 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958272) has the molecular formula C13H8ClN3O3 and a molecular weight of 289.68 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958272
Molecular FormulaC13H8ClN3O3
Molecular Weight289.68 g/mol
Exact Mass289.03
IUPAC Name5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2c(=O)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C13H8ClN3O3/c14-9-4-2-1-3-7(9)10-5-11(18)17-12(16-10)8(6-15-17)13(19)20/h1-6,15H,(H,19,20)
InChIKeyRHHDNNAZUXUZOL-UHFFFAOYSA-N
XLogP2.04
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958272) is 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1c[nH]n2c(=O)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is RHHDNNAZUXUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3/c14-9-4-2-1-3-7(9)10-5-11(18)17-12(16-10)8(6-15-17)13(19)20/h1-6,15H,(H,19,20).
What are the key properties of 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 289.68 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).