1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C8H7F3N4O — CID 178026709

IUPAC1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C(F)(F)F)nn2C)c(=O)[nH]1
InChIInChI=1S/C8H7F3N4O/c1-3-12-6-4(7(16)13-3)5(8(9,10)11)14-15(6)2/h1-2H3,(H,12,13,16)
InChIKeyBAYJPHNQYLQIEY-UHFFFAOYSA-N
MW232.16 g/mol
LogP0.98
Rot. Bonds

About 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 178026709) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID178026709
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C(F)(F)F)nn2C)c(=O)[nH]1
InChIInChI=1S/C8H7F3N4O/c1-3-12-6-4(7(16)13-3)5(8(9,10)11)14-15(6)2/h1-2H3,(H,12,13,16)
InChIKeyBAYJPHNQYLQIEY-UHFFFAOYSA-N
XLogP0.98
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methyl-4-oxo-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 135415516
5-Amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 19432842
3-(Difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide
CID 66901616
1-cyclopentyl-3-methyl-6-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135704752
1-tert-butyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 136348768
2-tert-butyl-3-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136355370
6-Tert-butyl-3-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 136355371
2-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136428059
3-(fluoromethyl)-6-methyl-1-[[(1R)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137276130
1-cyclohexyl-3-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137295990
6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 138705362
1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 140875029

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 178026709) is 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C(F)(F)F)nn2C)c(=O)[nH]1.
What is the InChIKey of 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BAYJPHNQYLQIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c1-3-12-6-4(7(16)13-3)5(8(9,10)11)14-15(6)2/h1-2H3,(H,12,13,16).
What are the key properties of 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 232.16 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 178026709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).