5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one

C22H21N3O3 — CID 125127405

About 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125127405) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125127405
• Molecular Formula: C22H21N3O3
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.16
• IUPAC Name: 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(C)cc4)ccn3n2)c1
• InChI: InChI=1S/C22H21N3O3/c1-15-6-8-16(9-7-15)21(26)14-24-10-11-25-20(22(24)27)13-19(23-25)17-4-3-5-18(12-17)28-2/h3-13,21,26H,14H2,1-2H3/t21-/m1/s1
• InChIKey: MWNQIZGPFWFJPR-OAQYLSRUSA-N
• XLogP: 3.21
• TPSA: 68.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 125127405) is 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one is COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(C)cc4)ccn3n2)c1.

What is the InChIKey of 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is MWNQIZGPFWFJPR-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-6-8-16(9-7-15)21(26)14-24-10-11-25-20(22(24)27)13-19(23-25)17-4-3-5-18(12-17)28-2/h3-13,21,26H,14H2,1-2H3/t21-/m1/s1.

What are the key properties of 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?

5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 375.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125127405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).