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

C20H10Cl2F3N3O2 — CID 15957633

IUPAC7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C20H10Cl2F3N3O2/c21-12-5-6-13(14(22)7-12)17-8-15(10-1-3-11(4-2-10)20(23,24)25)26-18-9-16(19(29)30)27-28(17)18/h1-9H,(H,29,30)
InChIKeyZLFNKLCPQXWPQD-UHFFFAOYSA-N
MW452.22 g/mol
LogP6.09
Rot. Bonds3

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

7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957633) has the molecular formula C20H10Cl2F3N3O2 and a molecular weight of 452.22 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957633
Molecular FormulaC20H10Cl2F3N3O2
Molecular Weight452.22 g/mol
Exact Mass451.01
IUPAC Name7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C20H10Cl2F3N3O2/c21-12-5-6-13(14(22)7-12)17-8-15(10-1-3-11(4-2-10)20(23,24)25)26-18-9-16(19(29)30)27-28(17)18/h1-9H,(H,29,30)
InChIKeyZLFNKLCPQXWPQD-UHFFFAOYSA-N
XLogP6.09
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.22
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957633) is 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(Cl)cc3Cl)n2n1.
What is the InChIKey of 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is ZLFNKLCPQXWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F3N3O2/c21-12-5-6-13(14(22)7-12)17-8-15(10-1-3-11(4-2-10)20(23,24)25)26-18-9-16(19(29)30)27-28(17)18/h1-9H,(H,29,30).
What are the key properties of 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 452.22 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).