5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C18H14N4O — CID 714182

IUPAC5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1
InChIInChI=1S/C18H14N4O/c23-18-16-11-20-22(15-9-5-2-6-10-15)17(16)19-13-21(18)12-14-7-3-1-4-8-14/h1-11,13H,12H2
InChIKeyVFOCEOYWSCCVOD-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.63
Rot. Bonds3

About 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 714182) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID714182
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1
InChIInChI=1S/C18H14N4O/c23-18-16-11-20-22(15-9-5-2-6-10-15)17(16)19-13-21(18)12-14-7-3-1-4-8-14/h1-11,13H,12H2
InChIKeyVFOCEOYWSCCVOD-UHFFFAOYSA-N
XLogP2.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 714182) is 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VFOCEOYWSCCVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-16-11-20-22(15-9-5-2-6-10-15)17(16)19-13-21(18)12-14-7-3-1-4-8-14/h1-11,13H,12H2.
What are the key properties of 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 302.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 714182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).