N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C23H22N4O5 — CID 135655186

About N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135655186) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135655186
• Molecular Formula: C23H22N4O5
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.16
• IUPAC Name: N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccc(-c2cc3n(n2)C(C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1OC
• InChI: InChI=1S/C23H22N4O5/c1-13(28)14-4-7-16(8-5-14)24-23(30)18-12-22(29)25-21-11-17(26-27(18)21)15-6-9-19(31-2)20(10-15)32-3/h4-11,18H,12H2,1-3H3,(H,24,30)(H,25,29)
• InChIKey: QFLHRTJCPKEDDZ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 111.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135655186) is N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc3n(n2)C(C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1OC.

What is the InChIKey of N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is QFLHRTJCPKEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-13(28)14-4-7-16(8-5-14)24-23(30)18-12-22(29)25-21-11-17(26-27(18)21)15-6-9-19(31-2)20(10-15)32-3/h4-11,18H,12H2,1-3H3,(H,24,30)(H,25,29).

What are the key properties of N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135655186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).