5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C16H19N3O3 — CID 53305006

IUPAC5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(-c3ccccc3)nn2CCN1CCOCCO
InChIInChI=1S/C16H19N3O3/c20-9-11-22-10-8-18-6-7-19-15(16(18)21)12-14(17-19)13-4-2-1-3-5-13/h1-5,12,20H,6-11H2
InChIKeyHVGAGIWPKLOOGY-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.01
Rot. Bonds6

About 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53305006) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID53305006
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(-c3ccccc3)nn2CCN1CCOCCO
InChIInChI=1S/C16H19N3O3/c20-9-11-22-10-8-18-6-7-19-15(16(18)21)12-14(17-19)13-4-2-1-3-5-13/h1-5,12,20H,6-11H2
InChIKeyHVGAGIWPKLOOGY-UHFFFAOYSA-N
XLogP1.01
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 53305006) is 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(-c3ccccc3)nn2CCN1CCOCCO.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HVGAGIWPKLOOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-9-11-22-10-8-18-6-7-19-15(16(18)21)12-14(17-19)13-4-2-1-3-5-13/h1-5,12,20H,6-11H2.
What are the key properties of 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 301.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53305006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).