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

C13H8F3N3O — CID 2743665

IUPAC3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2c(-c3ccccc3)c[nH]n12
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)10-6-11(20)19-12(18-10)9(7-17-19)8-4-2-1-3-5-8/h1-7,17H
InChIKeyVUZWDIPDZFDIRT-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.71
Rot. Bonds1

About 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2743665) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2743665
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2c(-c3ccccc3)c[nH]n12
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)10-6-11(20)19-12(18-10)9(7-17-19)8-4-2-1-3-5-8/h1-7,17H
InChIKeyVUZWDIPDZFDIRT-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 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2743665) is 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C(F)(F)F)nc2c(-c3ccccc3)c[nH]n12.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VUZWDIPDZFDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)10-6-11(20)19-12(18-10)9(7-17-19)8-4-2-1-3-5-8/h1-7,17H.
What are the key properties of 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-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 3-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2743665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).