6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H7Cl2N3O4 — CID 141148742

IUPAC6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(O)c(-c3ccc(Cl)cc3Cl)c(=O)[nH]c12
InChIInChI=1S/C13H7Cl2N3O4/c14-5-1-2-6(8(15)3-5)9-11(19)17-10-7(13(21)22)4-16-18(10)12(9)20/h1-4,20H,(H,17,19)(H,21,22)
InChIKeyZNOPQXDNSWFEMC-UHFFFAOYSA-N
MW340.12 g/mol
LogP2.40
Rot. Bonds2

About 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 141148742) has the molecular formula C13H7Cl2N3O4 and a molecular weight of 340.12 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID141148742
Molecular FormulaC13H7Cl2N3O4
Molecular Weight340.12 g/mol
Exact Mass338.98
IUPAC Name6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(O)c(-c3ccc(Cl)cc3Cl)c(=O)[nH]c12
InChIInChI=1S/C13H7Cl2N3O4/c14-5-1-2-6(8(15)3-5)9-11(19)17-10-7(13(21)22)4-16-18(10)12(9)20/h1-4,20H,(H,17,19)(H,21,22)
InChIKeyZNOPQXDNSWFEMC-UHFFFAOYSA-N
XLogP2.40
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 141148742) is 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(O)c(-c3ccc(Cl)cc3Cl)c(=O)[nH]c12.
What is the InChIKey of 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZNOPQXDNSWFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O4/c14-5-1-2-6(8(15)3-5)9-11(19)17-10-7(13(21)22)4-16-18(10)12(9)20/h1-4,20H,(H,17,19)(H,21,22).
What are the key properties of 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 340.12 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 141148742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).