5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H17N3O — CID 44589363

IUPAC5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(-c3ccccc3)nn2CCN1Cc1ccccc1
InChIInChI=1S/C19H17N3O/c23-19-18-13-17(16-9-5-2-6-10-16)20-22(18)12-11-21(19)14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyQCJKBIOPZYBASY-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.21
Rot. Bonds3

About 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 44589363) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID44589363
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(-c3ccccc3)nn2CCN1Cc1ccccc1
InChIInChI=1S/C19H17N3O/c23-19-18-13-17(16-9-5-2-6-10-16)20-22(18)12-11-21(19)14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyQCJKBIOPZYBASY-UHFFFAOYSA-N
XLogP3.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 44589363) is 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(-c3ccccc3)nn2CCN1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QCJKBIOPZYBASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19-18-13-17(16-9-5-2-6-10-16)20-22(18)12-11-21(19)14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2.
What are the key properties of 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 303.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 44589363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).