ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C26H28N4O4 — CID 92745096

About ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92745096) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92745096
• Molecular Formula: C26H28N4O4
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(C)c(C)c1)C2=O
• InChI: InChI=1S/C26H28N4O4/c1-5-34-24(32)21-14-22-23(31)30(20-12-11-17(2)18(3)13-20)26(4,16-29(22)28-21)25(33)27-15-19-9-7-6-8-10-19/h6-14H,5,15-16H2,1-4H3,(H,27,33)/t26-/m0/s1
• InChIKey: UEEYIHLJSLYNFH-SANMLTNESA-N
• XLogP: 3.41
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The IUPAC name of ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92745096) is ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

What is the SMILES notation for ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The canonical SMILES for ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(C)c(C)c1)C2=O.

What is the InChIKey of ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The InChIKey is UEEYIHLJSLYNFH-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N4O4/c1-5-34-24(32)21-14-22-23(31)30(20-12-11-17(2)18(3)13-20)26(4,16-29(22)28-21)25(33)27-15-19-9-7-6-8-10-19/h6-14H,5,15-16H2,1-4H3,(H,27,33)/t26-/m0/s1.

What are the key properties of ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 460.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92745096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).