Q2Q

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

Created:	2022-10-12
Last modified:	2023-02-01

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1 entries where Q2Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	17

2D diagram of Q2Q

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Chemical Component Summary
Name	3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one
Systematic Name (OpenEye OEToolkits)	3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one
Formula	C₁₉ H₁₂ F₃ N₃ O
Molecular Weight	355.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC(F)(F)c1nn2C(=O)CC(=Nc2c1c3ccccc3)c4ccccc4
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)c2c(nn3c2N=C(CC3=O)c4ccccc4)C(F)(F)F
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1nn2C(=O)CC(=Nc2c1c3ccccc3)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)c2c(nn3c2N=C(CC3=O)c4ccccc4)C(F)(F)F
InChI	InChI	1.06	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
InChIKey	InChI	1.06	QLWOIKQIMHVRGX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	166513901

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.