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

C23H23N3O4 — CID 56666577

IUPAC5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccccc4)cn3n2)cc1
InChIInChI=1S/C23H23N3O4/c1-29-19-9-7-17(8-10-19)20-15-21-23(28)25(11-13-30-14-12-27)22(16-26(21)24-20)18-5-3-2-4-6-18/h2-10,15-16,27H,11-14H2,1H3
InChIKeyDBXGZCGNDLJREG-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.85
Rot. Bonds8

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

5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 56666577) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID56666577
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccccc4)cn3n2)cc1
InChIInChI=1S/C23H23N3O4/c1-29-19-9-7-17(8-10-19)20-15-21-23(28)25(11-13-30-14-12-27)22(16-26(21)24-20)18-5-3-2-4-6-18/h2-10,15-16,27H,11-14H2,1H3
InChIKeyDBXGZCGNDLJREG-UHFFFAOYSA-N
XLogP2.85
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one (CID 56666577) is 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccccc4)cn3n2)cc1.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DBXGZCGNDLJREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-19-9-7-17(8-10-19)20-15-21-23(28)25(11-13-30-14-12-27)22(16-26(21)24-20)18-5-3-2-4-6-18/h2-10,15-16,27H,11-14H2,1H3.
What are the key properties of 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 405.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 56666577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).