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

C16H16N4O2 — CID 1433583

IUPAC1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C16H16N4O2/c1-10-4-5-13(6-11(10)2)20-15-14(7-18-20)16(22)19(9-17-15)8-12(3)21/h4-7,9H,8H2,1-3H3
InChIKeyBLQBKLLCSMHDQB-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.79
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1433583) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1433583
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C16H16N4O2/c1-10-4-5-13(6-11(10)2)20-15-14(7-18-20)16(22)19(9-17-15)8-12(3)21/h4-7,9H,8H2,1-3H3
InChIKeyBLQBKLLCSMHDQB-UHFFFAOYSA-N
XLogP1.79
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 1433583) is 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BLQBKLLCSMHDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-4-5-13(6-11(10)2)20-15-14(7-18-20)16(22)19(9-17-15)8-12(3)21/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 296.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1433583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).