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

C15H14N4O3 — CID 1433727

IUPAC1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2ncc3c(=O)n(CC(C)=O)cnc32)cc1
InChIInChI=1S/C15H14N4O3/c1-10(20)8-18-9-16-14-13(15(18)21)7-17-19(14)11-3-5-12(22-2)6-4-11/h3-7,9H,8H2,1-2H3
InChIKeyRDNMBZFNQCEUJU-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.18
Rot. Bonds4

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

1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1433727) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1433727
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2ncc3c(=O)n(CC(C)=O)cnc32)cc1
InChIInChI=1S/C15H14N4O3/c1-10(20)8-18-9-16-14-13(15(18)21)7-17-19(14)11-3-5-12(22-2)6-4-11/h3-7,9H,8H2,1-2H3
InChIKeyRDNMBZFNQCEUJU-UHFFFAOYSA-N
XLogP1.18
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 1433727) is 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-n2ncc3c(=O)n(CC(C)=O)cnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RDNMBZFNQCEUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10(20)8-18-9-16-14-13(15(18)21)7-17-19(14)11-3-5-12(22-2)6-4-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 298.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(2-oxopropyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1433727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).