7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C21H22N4O2 — CID 91888513

About 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91888513) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 91888513
• Molecular Formula: C21H22N4O2
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.17
• IUPAC Name: 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1ccccc1CNC1CNC(=O)c2cc(-c3ccc(C)cc3)nn21
• InChI: InChI=1S/C21H22N4O2/c1-14-7-9-15(10-8-14)17-11-18-21(26)23-13-20(25(18)24-17)22-12-16-5-3-4-6-19(16)27-2/h3-11,20,22H,12-13H2,1-2H3,(H,23,26)
• InChIKey: GGCBXRRVOVHTJX-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91888513) is 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1ccccc1CNC1CNC(=O)c2cc(-c3ccc(C)cc3)nn21.

What is the InChIKey of 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is GGCBXRRVOVHTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-7-9-15(10-8-14)17-11-18-21(26)23-13-20(25(18)24-17)22-12-16-5-3-4-6-19(16)27-2/h3-11,20,22H,12-13H2,1-2H3,(H,23,26).

What are the key properties of 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 362.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91888513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).