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

C8H9FN4O — CID 178026719

IUPAC3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(CF)nn2C)c(=O)[nH]1
InChIInChI=1S/C8H9FN4O/c1-4-10-7-6(8(14)11-4)5(3-9)12-13(7)2/h3H2,1-2H3,(H,10,11,14)
InChIKeyGCEHJFYHNGJCDU-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.43
Rot. Bonds1

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

3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 178026719) has the molecular formula C8H9FN4O and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID178026719
Molecular FormulaC8H9FN4O
Molecular Weight196.18 g/mol
Exact Mass196.08
IUPAC Name3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(CF)nn2C)c(=O)[nH]1
InChIInChI=1S/C8H9FN4O/c1-4-10-7-6(8(14)11-4)5(3-9)12-13(7)2/h3H2,1-2H3,(H,10,11,14)
InChIKeyGCEHJFYHNGJCDU-UHFFFAOYSA-N
XLogP0.43
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.43
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-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 136545256
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
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-(Dimethylamino)-3-(fluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 140875026
1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 140875029
5-Amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 145463398

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 178026719) is 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(CF)nn2C)c(=O)[nH]1.
What is the InChIKey of 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GCEHJFYHNGJCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c1-4-10-7-6(8(14)11-4)5(3-9)12-13(7)2/h3H2,1-2H3,(H,10,11,14).
What are the key properties of 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 196.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 178026719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).