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

C25H28N4O4 — CID 53049624

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

5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049624) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 53049624
• Molecular Formula: C25H28N4O4
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.21
• IUPAC Name: 5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1cc(OC)cc(N2C(=O)c3cc(C)nn3CC2(C)C(=O)NCc2ccc(C)cc2)c1
• InChI: InChI=1S/C25H28N4O4/c1-16-6-8-18(9-7-16)14-26-24(31)25(3)15-28-22(10-17(2)27-28)23(30)29(25)19-11-20(32-4)13-21(12-19)33-5/h6-13H,14-15H2,1-5H3,(H,26,31)
• InChIKey: YXSHTCVMSGXMAR-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049624) is 5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for 5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cc(OC)cc(N2C(=O)c3cc(C)nn3CC2(C)C(=O)NCc2ccc(C)cc2)c1.

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

The InChIKey is YXSHTCVMSGXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-16-6-8-18(9-7-16)14-26-24(31)25(3)15-28-22(10-17(2)27-28)23(30)29(25)19-11-20(32-4)13-21(12-19)33-5/h6-13H,14-15H2,1-5H3,(H,26,31).

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

5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).