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

C20H17N3O3 — CID 57395379

IUPAC5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESCOc1ccc(-c2cc3n(n2)CC(=O)N(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C20H17N3O3/c1-26-16-9-7-15(8-10-16)17-11-18-20(25)22(19(24)13-23(18)21-17)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeyZCSKBLFQLZOXDG-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.74
Rot. Bonds4

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

5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 57395379) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID57395379
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESCOc1ccc(-c2cc3n(n2)CC(=O)N(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C20H17N3O3/c1-26-16-9-7-15(8-10-16)17-11-18-20(25)22(19(24)13-23(18)21-17)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeyZCSKBLFQLZOXDG-UHFFFAOYSA-N
XLogP2.74
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 57395379) is 5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is COc1ccc(-c2cc3n(n2)CC(=O)N(Cc2ccccc2)C3=O)cc1.
What is the InChIKey of 5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is ZCSKBLFQLZOXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-16-9-7-15(8-10-16)17-11-18-20(25)22(19(24)13-23(18)21-17)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3.
What are the key properties of 5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione has a molecular weight of 347.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-methoxyphenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 57395379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).