5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C19H11ClFN3O2 — CID 15957552

IUPAC5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C19H11ClFN3O2/c20-13-6-4-11(5-7-13)15-9-17(12-2-1-3-14(21)8-12)24-18(22-15)10-16(23-24)19(25)26/h1-10H,(H,25,26)
InChIKeyUKYGCZXTRWQVPO-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.55
Rot. Bonds3

About 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957552) has the molecular formula C19H11ClFN3O2 and a molecular weight of 367.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957552
Molecular FormulaC19H11ClFN3O2
Molecular Weight367.77 g/mol
Exact Mass367.05
IUPAC Name5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C19H11ClFN3O2/c20-13-6-4-11(5-7-13)15-9-17(12-2-1-3-14(21)8-12)24-18(22-15)10-16(23-24)19(25)26/h1-10H,(H,25,26)
InChIKeyUKYGCZXTRWQVPO-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 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957552) is 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3cccc(F)c3)n2n1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is UKYGCZXTRWQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2/c20-13-6-4-11(5-7-13)15-9-17(12-2-1-3-14(21)8-12)24-18(22-15)10-16(23-24)19(25)26/h1-10H,(H,25,26).
What are the key properties of 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-chlorophenyl)-7-(3-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 5-(4-chlorophenyl)-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).