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

C24H25N3O5 — CID 53308341

IUPAC5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccc(OC)cc4)cn3n2)cc1
InChIInChI=1S/C24H25N3O5/c1-30-19-7-3-17(4-8-19)21-15-22-24(29)26(11-13-32-14-12-28)23(16-27(22)25-21)18-5-9-20(31-2)10-6-18/h3-10,15-16,28H,11-14H2,1-2H3
InChIKeyOSRSQCVNLXXYIB-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.86
Rot. Bonds9

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

5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53308341) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53308341
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccc(OC)cc4)cn3n2)cc1
InChIInChI=1S/C24H25N3O5/c1-30-19-7-3-17(4-8-19)21-15-22-24(29)26(11-13-32-14-12-28)23(16-27(22)25-21)18-5-9-20(31-2)10-6-18/h3-10,15-16,28H,11-14H2,1-2H3
InChIKeyOSRSQCVNLXXYIB-UHFFFAOYSA-N
XLogP2.86
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 53308341) is 5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccc(OC)cc4)cn3n2)cc1.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OSRSQCVNLXXYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-30-19-7-3-17(4-8-19)21-15-22-24(29)26(11-13-32-14-12-28)23(16-27(22)25-21)18-5-9-20(31-2)10-6-18/h3-10,15-16,28H,11-14H2,1-2H3.
What are the key properties of 5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 435.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53308341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).