5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C18H14N4O — CID 135911555

IUPAC5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]c(Cc2ccccc2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H14N4O/c23-18-17-15(12-22(21-17)14-9-5-2-6-10-14)19-16(20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,20,23)
InChIKeyOUIGTVCXMJNAQR-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.70
Rot. Bonds3

About 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135911555) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135911555
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]c(Cc2ccccc2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H14N4O/c23-18-17-15(12-22(21-17)14-9-5-2-6-10-14)19-16(20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,20,23)
InChIKeyOUIGTVCXMJNAQR-UHFFFAOYSA-N
XLogP2.70
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135911555) is 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is O=c1[nH]c(Cc2ccccc2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is OUIGTVCXMJNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-17-15(12-22(21-17)14-9-5-2-6-10-14)19-16(20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,20,23).
What are the key properties of 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 302.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135911555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).