5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H5Cl2F2N3O2 — CID 141272199

IUPAC5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(Cl)c(-c3c(F)cccc3F)c(Cl)nc12
InChIInChI=1S/C13H5Cl2F2N3O2/c14-10-9(8-6(16)2-1-3-7(8)17)11(15)20-12(19-10)5(4-18-20)13(21)22/h1-4H,(H,21,22)
InChIKeyUDMWBIYJIJZUAQ-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.68
Rot. Bonds2

About 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 141272199) has the molecular formula C13H5Cl2F2N3O2 and a molecular weight of 344.10 g/mol. Its IUPAC name is 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID141272199
Molecular FormulaC13H5Cl2F2N3O2
Molecular Weight344.10 g/mol
Exact Mass342.97
IUPAC Name5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(Cl)c(-c3c(F)cccc3F)c(Cl)nc12
InChIInChI=1S/C13H5Cl2F2N3O2/c14-10-9(8-6(16)2-1-3-7(8)17)11(15)20-12(19-10)5(4-18-20)13(21)22/h1-4H,(H,21,22)
InChIKeyUDMWBIYJIJZUAQ-UHFFFAOYSA-N
XLogP3.68
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 141272199) is 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(Cl)c(-c3c(F)cccc3F)c(Cl)nc12.
What is the InChIKey of 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is UDMWBIYJIJZUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F2N3O2/c14-10-9(8-6(16)2-1-3-7(8)17)11(15)20-12(19-10)5(4-18-20)13(21)22/h1-4H,(H,21,22).
What are the key properties of 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 344.10 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 141272199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).