5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H19N3O2 — CID 44589375

IUPAC5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3n(n2)CCN(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C20H19N3O2/c1-25-17-9-7-16(8-10-17)18-13-19-20(24)22(11-12-23(19)21-18)14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3
InChIKeyQWGKRWBBVHXZGW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.21
Rot. Bonds4

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

5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 44589375) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID44589375
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3n(n2)CCN(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C20H19N3O2/c1-25-17-9-7-16(8-10-17)18-13-19-20(24)22(11-12-23(19)21-18)14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3
InChIKeyQWGKRWBBVHXZGW-UHFFFAOYSA-N
XLogP3.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 44589375) is 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3n(n2)CCN(Cc2ccccc2)C3=O)cc1.
What is the InChIKey of 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QWGKRWBBVHXZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-17-9-7-16(8-10-17)18-13-19-20(24)22(11-12-23(19)21-18)14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 44589375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).