1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one

C22H20N4O — CID 71962728

IUPAC1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CC=Cc4ccccc4)cnc32)c(C)c1
InChIInChI=1S/C22H20N4O/c1-16-10-11-20(17(2)13-16)26-21-19(14-24-26)22(27)25(15-23-21)12-6-9-18-7-4-3-5-8-18/h3-11,13-15H,12H2,1-2H3
InChIKeyLOVKMGKOFAJTEA-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.91
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 71962728) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID71962728
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CC=Cc4ccccc4)cnc32)c(C)c1
InChIInChI=1S/C22H20N4O/c1-16-10-11-20(17(2)13-16)26-21-19(14-24-26)22(27)25(15-23-21)12-6-9-18-7-4-3-5-8-18/h3-11,13-15H,12H2,1-2H3
InChIKeyLOVKMGKOFAJTEA-UHFFFAOYSA-N
XLogP3.91
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 75382006
1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243885
2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
CID 7243904
5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243915
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
5-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243922
N-(3-acetamidophenyl)-2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799494
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243818
diethyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanedioate
CID 7532902
methyl 5-[[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate
CID 7532895
5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78793445

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 71962728) is 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(CC=Cc4ccccc4)cnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LOVKMGKOFAJTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-10-11-20(17(2)13-16)26-21-19(14-24-26)22(27)25(15-23-21)12-6-9-18-7-4-3-5-8-18/h3-11,13-15H,12H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 71962728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).