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

C13H7ClFN3O4 — CID 175364564

IUPAC6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(O)c(-c3ccc(Cl)cc3F)c(=O)[nH]c12
InChIInChI=1S/C13H7ClFN3O4/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)
InChIKeyQPXNITUEFDTDSX-UHFFFAOYSA-N
MW323.67 g/mol
LogP1.89
Rot. Bonds2

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

6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 175364564) has the molecular formula C13H7ClFN3O4 and a molecular weight of 323.67 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID175364564
Molecular FormulaC13H7ClFN3O4
Molecular Weight323.67 g/mol
Exact Mass323.01
IUPAC Name6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(O)c(-c3ccc(Cl)cc3F)c(=O)[nH]c12
InChIInChI=1S/C13H7ClFN3O4/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)
InChIKeyQPXNITUEFDTDSX-UHFFFAOYSA-N
XLogP1.89
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.67
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 175364564) is 6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(O)c(-c3ccc(Cl)cc3F)c(=O)[nH]c12.
What is the InChIKey of 6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is QPXNITUEFDTDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O4/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-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 323.67 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 175364564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).