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

C19H11ClFN3O2 — CID 10316921

IUPAC7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)n2n1
InChIInChI=1S/C19H11ClFN3O2/c20-13-5-1-12(2-6-13)17-9-15(11-3-7-14(21)8-4-11)22-18-10-16(19(25)26)23-24(17)18/h1-10H,(H,25,26)
InChIKeyQCYPTNBSRXDQJI-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.55
Rot. Bonds3

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

7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 10316921) has the molecular formula C19H11ClFN3O2 and a molecular weight of 367.77 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID10316921
Molecular FormulaC19H11ClFN3O2
Molecular Weight367.77 g/mol
Exact Mass367.05
IUPAC Name7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)n2n1
InChIInChI=1S/C19H11ClFN3O2/c20-13-5-1-12(2-6-13)17-9-15(11-3-7-14(21)8-4-11)22-18-10-16(19(25)26)23-24(17)18/h1-10H,(H,25,26)
InChIKeyQCYPTNBSRXDQJI-UHFFFAOYSA-N
XLogP4.55
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 10316921) is 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)n2n1.
What is the InChIKey of 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is QCYPTNBSRXDQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2/c20-13-5-1-12(2-6-13)17-9-15(11-3-7-14(21)8-4-11)22-18-10-16(19(25)26)23-24(17)18/h1-10H,(H,25,26).
What are the key properties of 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 367.77 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 10316921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).