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

C28H34N4O3 — CID 22522198

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

N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522198) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 22522198
• Molecular Formula: C28H34N4O3
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.26
• IUPAC Name: N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1cc(C)cc(N2C(=O)c3cc(-c4ccco4)nn3CC2(C)C(=O)NC2CCCCCCC2)c1
• InChI: InChI=1S/C28H34N4O3/c1-19-14-20(2)16-22(15-19)32-26(33)24-17-23(25-12-9-13-35-25)30-31(24)18-28(32,3)27(34)29-21-10-7-5-4-6-8-11-21/h9,12-17,21H,4-8,10-11,18H2,1-3H3,(H,29,34)
• InChIKey: BJHDZKYHPYJONN-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522198) is N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cc(C)cc(N2C(=O)c3cc(-c4ccco4)nn3CC2(C)C(=O)NC2CCCCCCC2)c1.

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

The InChIKey is BJHDZKYHPYJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-19-14-20(2)16-22(15-19)32-26(33)24-17-23(25-12-9-13-35-25)30-31(24)18-28(32,3)27(34)29-21-10-7-5-4-6-8-11-21/h9,12-17,21H,4-8,10-11,18H2,1-3H3,(H,29,34).

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

N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).