5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one

C24H25N3O3 — CID 91889255

About 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91889255) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 91889255
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1ccc(-c2cc3c(=O)n(CC(O)c4cc(C)c(C)cc4C)ccn3n2)cc1
• InChI: InChI=1S/C24H25N3O3/c1-15-11-17(3)20(12-16(15)2)23(28)14-26-9-10-27-22(24(26)29)13-21(25-27)18-5-7-19(30-4)8-6-18/h5-13,23,28H,14H2,1-4H3
• InChIKey: CCGTVQBJHWGPGJ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 68.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91889255) is 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3c(=O)n(CC(O)c4cc(C)c(C)cc4C)ccn3n2)cc1.

What is the InChIKey of 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is CCGTVQBJHWGPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-11-17(3)20(12-16(15)2)23(28)14-26-9-10-27-22(24(26)29)13-21(25-27)18-5-7-19(30-4)8-6-18/h5-13,23,28H,14H2,1-4H3.

What are the key properties of 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?

5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 403.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91889255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).