5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

C13H12N4O — CID 135911561

IUPAC5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccc(-n2cc3nc(C)[nH]c(=O)c3n2)cc1
InChIInChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-7-11-12(16-17)13(18)15-9(2)14-11/h3-7H,1-2H3,(H,14,15,18)
InChIKeyOAGNBKWJJYOKMX-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.73
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135911561) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135911561
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccc(-n2cc3nc(C)[nH]c(=O)c3n2)cc1
InChIInChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-7-11-12(16-17)13(18)15-9(2)14-11/h3-7H,1-2H3,(H,14,15,18)
InChIKeyOAGNBKWJJYOKMX-UHFFFAOYSA-N
XLogP1.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135911561) is 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is Cc1ccc(-n2cc3nc(C)[nH]c(=O)c3n2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is OAGNBKWJJYOKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-7-11-12(16-17)13(18)15-9(2)14-11/h3-7H,1-2H3,(H,14,15,18).
What are the key properties of 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 240.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135911561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).