5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one

C13H8F3N3O — CID 13379045

IUPAC5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESO=c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2[nH]1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)10-6-9(8-4-2-1-3-5-8)17-11-7-12(20)18-19(10)11/h1-7H,(H,18,20)
InChIKeyFXTHKGKTWXUIOX-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.71
Rot. Bonds1

About 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one

5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 13379045) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID13379045
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESO=c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2[nH]1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)10-6-9(8-4-2-1-3-5-8)17-11-7-12(20)18-19(10)11/h1-7H,(H,18,20)
InChIKeyFXTHKGKTWXUIOX-UHFFFAOYSA-N
XLogP2.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 13379045) is 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one is O=c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2[nH]1.
What is the InChIKey of 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is FXTHKGKTWXUIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)10-6-9(8-4-2-1-3-5-8)17-11-7-12(20)18-19(10)11/h1-7H,(H,18,20).
What are the key properties of 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 279.22 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 13379045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).