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

C14H11F3N4O — CID 135401238

IUPAC3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2nc(C)c3c(=O)[nH]c(C(F)(F)F)nc32)cc1
InChIInChI=1S/C14H11F3N4O/c1-7-3-5-9(6-4-7)21-11-10(8(2)20-21)12(22)19-13(18-11)14(15,16)17/h3-6H,1-2H3,(H,18,19,22)
InChIKeyHPYQSLDADZGQEV-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.74
Rot. Bonds1

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

3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135401238) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135401238
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2nc(C)c3c(=O)[nH]c(C(F)(F)F)nc32)cc1
InChIInChI=1S/C14H11F3N4O/c1-7-3-5-9(6-4-7)21-11-10(8(2)20-21)12(22)19-13(18-11)14(15,16)17/h3-6H,1-2H3,(H,18,19,22)
InChIKeyHPYQSLDADZGQEV-UHFFFAOYSA-N
XLogP2.74
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
2H-Pyrazolo(4,3-c)pyridine-4,6-diol, 3-amino-2-phenyl-
CID 135419024
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1,7-Dihydro-3,6-dimethyl-1-phenyl-4H-pyrazolo[3,4-b]pyridin-4-one
CID 135403969
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126
N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
CID 2118092
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646605
1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135521595
N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 135753074
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135753076

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135401238) is 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2nc(C)c3c(=O)[nH]c(C(F)(F)F)nc32)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HPYQSLDADZGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-7-3-5-9(6-4-7)21-11-10(8(2)20-21)12(22)19-13(18-11)14(15,16)17/h3-6H,1-2H3,(H,18,19,22).
What are the key properties of 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 308.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135401238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).