1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C13H12N4O — CID 135500641

IUPAC1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)[nH]cnc32)c(C)c1
InChIInChI=1S/C13H12N4O/c1-8-3-4-11(9(2)5-8)17-12-10(6-16-17)13(18)15-7-14-12/h3-7H,1-2H3,(H,14,15,18)
InChIKeyAIQYAGCWQZIFBM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.73
Rot. Bonds1

About 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135500641) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135500641
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)[nH]cnc32)c(C)c1
InChIInChI=1S/C13H12N4O/c1-8-3-4-11(9(2)5-8)17-12-10(6-16-17)13(18)15-7-14-12/h3-7H,1-2H3,(H,14,15,18)
InChIKeyAIQYAGCWQZIFBM-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 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135500641) is 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)[nH]cnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AIQYAGCWQZIFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-3-4-11(9(2)5-8)17-12-10(6-16-17)13(18)15-7-14-12/h3-7H,1-2H3,(H,14,15,18).
What are the key properties of 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-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 1-(2,4-dimethylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135500641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).