7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C13H9ClN4O2 — CID 1481758

IUPAC7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESNc1c(C(=O)O)cnc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C13H9ClN4O2/c14-8-3-1-7(2-4-8)9-6-17-18-11(15)10(13(19)20)5-16-12(9)18/h1-6H,15H2,(H,19,20)
InChIKeyNHFWRQOQYKRILF-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.33
Rot. Bonds2

About 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 1481758) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID1481758
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESNc1c(C(=O)O)cnc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C13H9ClN4O2/c14-8-3-1-7(2-4-8)9-6-17-18-11(15)10(13(19)20)5-16-12(9)18/h1-6H,15H2,(H,19,20)
InChIKeyNHFWRQOQYKRILF-UHFFFAOYSA-N
XLogP2.33
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 1481758) is 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Nc1c(C(=O)O)cnc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is NHFWRQOQYKRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-8-3-1-7(2-4-8)9-6-17-18-11(15)10(13(19)20)5-16-12(9)18/h1-6H,15H2,(H,19,20).
What are the key properties of 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 288.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 1481758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).