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

C31H32N4O4 — CID 50756671

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

5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756671) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 50756671
• Molecular Formula: C31H32N4O4
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.24
• IUPAC Name: 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)c(C)c2)C3=O)cc1
• InChI: InChI=1S/C31H32N4O4/c1-20-10-13-24(16-21(20)2)35-29(36)27-17-26(22-11-14-25(38-4)15-12-22)33-34(27)19-31(35,3)30(37)32-18-23-8-6-7-9-28(23)39-5/h6-17H,18-19H2,1-5H3,(H,32,37)
• InChIKey: LIIBJIYACHTTSR-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756671) is 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)c(C)c2)C3=O)cc1.

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

The InChIKey is LIIBJIYACHTTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-20-10-13-24(16-21(20)2)35-29(36)27-17-26(22-11-14-25(38-4)15-12-22)33-34(27)19-31(35,3)30(37)32-18-23-8-6-7-9-28(23)39-5/h6-17H,18-19H2,1-5H3,(H,32,37).

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

5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).