2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C31H32N4O4 — CID 46272720

About 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272720) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 46272720
• Molecular Formula: C31H32N4O4
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.24
• IUPAC Name: 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(Cc2cccc(C)c2)C3=O)cc1
• InChI: InChI=1S/C31H32N4O4/c1-21-8-7-9-22(16-21)19-34-29(36)27-17-26(23-12-14-25(38-3)15-13-23)33-35(27)20-31(34,2)30(37)32-18-24-10-5-6-11-28(24)39-4/h5-17H,18-20H2,1-4H3,(H,32,37)
• InChIKey: GBQQGWWTUHAXKA-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272720) is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(Cc2cccc(C)c2)C3=O)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is GBQQGWWTUHAXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-21-8-7-9-22(16-21)19-34-29(36)27-17-26(23-12-14-25(38-3)15-13-23)33-35(27)20-31(34,2)30(37)32-18-24-10-5-6-11-28(24)39-4/h5-17H,18-20H2,1-4H3,(H,32,37).

What are the key properties of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).