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

C27H30N4O4 — CID 92745083

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

ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92745083) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92745083
• Molecular Formula: C27H30N4O4
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.23
• IUPAC Name: ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(CCCc1ccccc1)C2=O
• InChI: InChI=1S/C27H30N4O4/c1-3-35-25(33)22-17-23-24(32)30(16-10-15-20-11-6-4-7-12-20)27(2,19-31(23)29-22)26(34)28-18-21-13-8-5-9-14-21/h4-9,11-14,17H,3,10,15-16,18-19H2,1-2H3,(H,28,34)/t27-/m1/s1
• InChIKey: PNFZPFLHZXTCMT-HHHXNRCGSA-N
• XLogP: 3.22
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92745083) is ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(CCCc1ccccc1)C2=O.

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

The InChIKey is PNFZPFLHZXTCMT-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-3-35-25(33)22-17-23-24(32)30(16-10-15-20-11-6-4-7-12-20)27(2,19-31(23)29-22)26(34)28-18-21-13-8-5-9-14-21/h4-9,11-14,17H,3,10,15-16,18-19H2,1-2H3,(H,28,34)/t27-/m1/s1.

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

ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92745083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).