5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione

C19H15N3O2 — CID 57391933

IUPAC5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H15N3O2/c23-18-13-22-17(11-16(20-22)15-9-5-2-6-10-15)19(24)21(18)12-14-7-3-1-4-8-14/h1-11H,12-13H2
InChIKeyYDPYGZHQDXAUKQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.73
Rot. Bonds3

About 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione

5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 57391933) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID57391933
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H15N3O2/c23-18-13-22-17(11-16(20-22)15-9-5-2-6-10-15)19(24)21(18)12-14-7-3-1-4-8-14/h1-11H,12-13H2
InChIKeyYDPYGZHQDXAUKQ-UHFFFAOYSA-N
XLogP2.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 57391933) is 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is O=C1Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is YDPYGZHQDXAUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-18-13-22-17(11-16(20-22)15-9-5-2-6-10-15)19(24)21(18)12-14-7-3-1-4-8-14/h1-11H,12-13H2.
What are the key properties of 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione has a molecular weight of 317.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 57391933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).