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

C22H21N3O3 — CID 53308270

IUPAC5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccccc3)nn2cc(-c2ccccc2)n1CCOCCO
InChIInChI=1S/C22H21N3O3/c26-12-14-28-13-11-24-21(18-9-5-2-6-10-18)16-25-20(22(24)27)15-19(23-25)17-7-3-1-4-8-17/h1-10,15-16,26H,11-14H2
InChIKeyPPMBNAXMDIHGEG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.84
Rot. Bonds7

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

5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53308270) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53308270
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccccc3)nn2cc(-c2ccccc2)n1CCOCCO
InChIInChI=1S/C22H21N3O3/c26-12-14-28-13-11-24-21(18-9-5-2-6-10-18)16-25-20(22(24)27)15-19(23-25)17-7-3-1-4-8-17/h1-10,15-16,26H,11-14H2
InChIKeyPPMBNAXMDIHGEG-UHFFFAOYSA-N
XLogP2.84
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one (CID 53308270) is 5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccccc3)nn2cc(-c2ccccc2)n1CCOCCO.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PPMBNAXMDIHGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-12-14-28-13-11-24-21(18-9-5-2-6-10-18)16-25-20(22(24)27)15-19(23-25)17-7-3-1-4-8-17/h1-10,15-16,26H,11-14H2.
What are the key properties of 5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 375.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)ethyl]-2,6-diphenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53308270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).