5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C13H7Cl2N3O2 — CID 29091062

IUPAC5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn12
InChIInChI=1S/C13H7Cl2N3O2/c14-8-2-1-7(5-9(8)15)10-6-11(13(19)20)18-12(17-10)3-4-16-18/h1-6H,(H,19,20)
InChIKeyJTETUCFKNUEUPC-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.40
Rot. Bonds2

About 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 29091062) has the molecular formula C13H7Cl2N3O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID29091062
Molecular FormulaC13H7Cl2N3O2
Molecular Weight308.12 g/mol
Exact Mass306.99
IUPAC Name5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn12
InChIInChI=1S/C13H7Cl2N3O2/c14-8-2-1-7(5-9(8)15)10-6-11(13(19)20)18-12(17-10)3-4-16-18/h1-6H,(H,19,20)
InChIKeyJTETUCFKNUEUPC-UHFFFAOYSA-N
XLogP3.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 29091062) is 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn12.
What is the InChIKey of 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is JTETUCFKNUEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O2/c14-8-2-1-7(5-9(8)15)10-6-11(13(19)20)18-12(17-10)3-4-16-18/h1-6H,(H,19,20).
What are the key properties of 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 308.12 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 29091062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).