ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C27H30N4O4 — CID 92715496

About ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92715496) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92715496
• Molecular Formula: C27H30N4O4
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.23
• IUPAC Name: ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(c1ccc(C)cc1C)C2=O
• InChI: InChI=1S/C27H30N4O4/c1-6-35-25(33)21-14-23-24(32)31(22-12-9-18(3)13-19(22)4)27(5,16-30(23)29-21)26(34)28-15-20-10-7-17(2)8-11-20/h7-14H,6,15-16H2,1-5H3,(H,28,34)/t27-/m1/s1
• InChIKey: MVZKZBSMLVOJDV-HHHXNRCGSA-N
• XLogP: 3.72
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92715496) is ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(c1ccc(C)cc1C)C2=O.

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

The InChIKey is MVZKZBSMLVOJDV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-6-35-25(33)21-14-23-24(32)31(22-12-9-18(3)13-19(22)4)27(5,16-30(23)29-21)26(34)28-15-20-10-7-17(2)8-11-20/h7-14H,6,15-16H2,1-5H3,(H,28,34)/t27-/m1/s1.

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

ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92715496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).