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

C26H34N4O4 — CID 92744890

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

ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92744890) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92744890
• Molecular Formula: C26H34N4O4
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.26
• IUPAC Name: ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCC(C)CC1)N(c1ccc(C)c(C)c1)C2=O
• InChI: InChI=1S/C26H34N4O4/c1-6-34-24(32)21-14-22-23(31)30(20-12-9-17(3)18(4)13-20)26(5,15-29(22)28-21)25(33)27-19-10-7-16(2)8-11-19/h9,12-14,16,19H,6-8,10-11,15H2,1-5H3,(H,27,33)/t16?,19?,26-/m1/s1
• InChIKey: NSUOUYKRFZELKS-MKTSZQRWSA-N
• XLogP: 3.79
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92744890) is ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCC(C)CC1)N(c1ccc(C)c(C)c1)C2=O.

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

The InChIKey is NSUOUYKRFZELKS-MKTSZQRWSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-6-34-24(32)21-14-22-23(31)30(20-12-9-17(3)18(4)13-20)26(5,15-29(22)28-21)25(33)27-19-10-7-16(2)8-11-19/h9,12-14,16,19H,6-8,10-11,15H2,1-5H3,(H,27,33)/t16?,19?,26-/m1/s1.

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

ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 466.58 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-5-(3,4-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92744890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).