5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C20H18N4O — CID 2047328

IUPAC5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C20H18N4O/c1-14-8-9-16(15(2)10-14)12-23-13-21-19-18(20(23)25)11-22-24(19)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3
InChIKeyXXODJTGARKMILF-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.25
Rot. Bonds3

About 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2047328) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2047328
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C20H18N4O/c1-14-8-9-16(15(2)10-14)12-23-13-21-19-18(20(23)25)11-22-24(19)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3
InChIKeyXXODJTGARKMILF-UHFFFAOYSA-N
XLogP3.25
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2047328) is 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XXODJTGARKMILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-8-9-16(15(2)10-14)12-23-13-21-19-18(20(23)25)11-22-24(19)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3.
What are the key properties of 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 330.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2047328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).