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

C14H7F4N3O2 — CID 781430

IUPAC5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C14H7F4N3O2/c15-8-3-1-7(2-4-8)10-5-11(14(16,17)18)21-12(20-10)9(6-19-21)13(22)23/h1-6H,(H,22,23)
InChIKeyHPHIECSLGTYDHH-UHFFFAOYSA-N
MW325.22 g/mol
LogP3.25
Rot. Bonds2

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

5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 781430) has the molecular formula C14H7F4N3O2 and a molecular weight of 325.22 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID781430
Molecular FormulaC14H7F4N3O2
Molecular Weight325.22 g/mol
Exact Mass325.05
IUPAC Name5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C14H7F4N3O2/c15-8-3-1-7(2-4-8)10-5-11(14(16,17)18)21-12(20-10)9(6-19-21)13(22)23/h1-6H,(H,22,23)
InChIKeyHPHIECSLGTYDHH-UHFFFAOYSA-N
XLogP3.25
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 781430) is 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HPHIECSLGTYDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4N3O2/c15-8-3-1-7(2-4-8)10-5-11(14(16,17)18)21-12(20-10)9(6-19-21)13(22)23/h1-6H,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 325.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 781430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).