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

C27H26N4O2S — CID 53049318

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

N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049318) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 53049318
• Molecular Formula: C27H26N4O2S
• Molecular Weight: 470.60 g/mol
• Exact Mass: 470.18
• IUPAC Name: N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NCc2ccccc2)cc1C
• InChI: InChI=1S/C27H26N4O2S/c1-18-11-12-21(14-19(18)2)31-25(32)23-15-22(24-10-7-13-34-24)29-30(23)17-27(31,3)26(33)28-16-20-8-5-4-6-9-20/h4-15H,16-17H2,1-3H3,(H,28,33)
• InChIKey: XQNCGYIOOCRDRM-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.60
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049318) is N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NCc2ccccc2)cc1C.

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

The InChIKey is XQNCGYIOOCRDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-18-11-12-21(14-19(18)2)31-25(32)23-15-22(24-10-7-13-34-24)29-30(23)17-27(31,3)26(33)28-16-20-8-5-4-6-9-20/h4-15H,16-17H2,1-3H3,(H,28,33).

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

N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).