3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one

C19H12F3N3O — CID 166513901

IUPAC3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1CC(c2ccccc2)=Nc2c(-c3ccccc3)c(C(F)(F)F)nn21
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyQLWOIKQIMHVRGX-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.73
Rot. Bonds2

About 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one

3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 166513901) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID166513901
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1CC(c2ccccc2)=Nc2c(-c3ccccc3)c(C(F)(F)F)nn21
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyQLWOIKQIMHVRGX-UHFFFAOYSA-N
XLogP4.73
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one (CID 166513901) is 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one is O=C1CC(c2ccccc2)=Nc2c(-c3ccccc3)c(C(F)(F)F)nn21.
What is the InChIKey of 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QLWOIKQIMHVRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one?
3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 355.32 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166513901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).