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

C26H28N4O5 — CID 92745151

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

ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92745151) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92745151
• Molecular Formula: C26H28N4O5
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.21
• IUPAC Name: ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(c1ccccc1C)C2=O
• InChI: InChI=1S/C26H28N4O5/c1-5-35-24(32)19-14-21-23(31)30(20-12-8-6-10-17(20)2)26(3,16-29(21)28-19)25(33)27-15-18-11-7-9-13-22(18)34-4/h6-14H,5,15-16H2,1-4H3,(H,27,33)/t26-/m1/s1
• InChIKey: BDSCJDXVQRLEMO-AREMUKBSSA-N
• XLogP: 3.11
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92745151) is ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(c1ccccc1C)C2=O.

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

The InChIKey is BDSCJDXVQRLEMO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-5-35-24(32)19-14-21-23(31)30(20-12-8-6-10-17(20)2)26(3,16-29(21)28-19)25(33)27-15-18-11-7-9-13-22(18)34-4/h6-14H,5,15-16H2,1-4H3,(H,27,33)/t26-/m1/s1.

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

ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92745151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).