5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one

C23H21N3O — CID 27371202

IUPAC5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESC=Cc1ccc(Cn2ccn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1
InChIInChI=1S/C23H21N3O/c1-3-17-5-7-19(8-6-17)16-25-13-14-26-22(23(25)27)15-21(24-26)20-11-9-18(4-2)10-12-20/h3,5-15H,1,4,16H2,2H3
InChIKeyORLRQLJATYHVRE-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.42
Rot. Bonds5

About 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27371202) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27371202
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESC=Cc1ccc(Cn2ccn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1
InChIInChI=1S/C23H21N3O/c1-3-17-5-7-19(8-6-17)16-25-13-14-26-22(23(25)27)15-21(24-26)20-11-9-18(4-2)10-12-20/h3,5-15H,1,4,16H2,2H3
InChIKeyORLRQLJATYHVRE-UHFFFAOYSA-N
XLogP4.42
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 27371202) is 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is C=Cc1ccc(Cn2ccn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1.
What is the InChIKey of 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ORLRQLJATYHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-3-17-5-7-19(8-6-17)16-25-13-14-26-22(23(25)27)15-21(24-26)20-11-9-18(4-2)10-12-20/h3,5-15H,1,4,16H2,2H3.
What are the key properties of 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 355.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27371202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).