5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C19H10Cl2FN3O2 — CID 15957569

IUPAC5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3Cl)cc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C19H10Cl2FN3O2/c20-11-3-6-13(14(21)7-11)15-8-17(10-1-4-12(22)5-2-10)25-18(23-15)9-16(24-25)19(26)27/h1-9H,(H,26,27)
InChIKeyYITLKBFJTACKIJ-UHFFFAOYSA-N
MW402.21 g/mol
LogP5.21
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957569) has the molecular formula C19H10Cl2FN3O2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957569
Molecular FormulaC19H10Cl2FN3O2
Molecular Weight402.21 g/mol
Exact Mass401.01
IUPAC Name5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3Cl)cc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C19H10Cl2FN3O2/c20-11-3-6-13(14(21)7-11)15-8-17(10-1-4-12(22)5-2-10)25-18(23-15)9-16(24-25)19(26)27/h1-9H,(H,26,27)
InChIKeyYITLKBFJTACKIJ-UHFFFAOYSA-N
XLogP5.21
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.21
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957569) is 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3Cl)cc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is YITLKBFJTACKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2FN3O2/c20-11-3-6-13(14(21)7-11)15-8-17(10-1-4-12(22)5-2-10)25-18(23-15)9-16(24-25)19(26)27/h1-9H,(H,26,27).
What are the key properties of 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 402.21 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).