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

C28H28N4O3 — CID 53049460

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

5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049460) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 53049460
• Molecular Formula: C28H28N4O3
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.22
• IUPAC Name: 5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1cccc(CNC(=O)C2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2cc(C)cc(C)c2)c1
• InChI: InChI=1S/C28H28N4O3/c1-18-7-5-8-21(12-18)16-29-27(34)28(4)17-31-24(15-23(30-31)25-9-6-10-35-25)26(33)32(28)22-13-19(2)11-20(3)14-22/h5-15H,16-17H2,1-4H3,(H,29,34)
• InChIKey: MQYGSMSUSVNWFS-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049460) is 5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for 5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cccc(CNC(=O)C2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2cc(C)cc(C)c2)c1.

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

The InChIKey is MQYGSMSUSVNWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-18-7-5-8-21(12-18)16-29-27(34)28(4)17-31-24(15-23(30-31)25-9-6-10-35-25)26(33)32(28)22-13-19(2)11-20(3)14-22/h5-15H,16-17H2,1-4H3,(H,29,34).

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

5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).