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

C24H29ClN4O4 — CID 92744924

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

ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92744924) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92744924
• Molecular Formula: C24H29ClN4O4
• Molecular Weight: 472.97 g/mol
• Exact Mass: 472.19
• IUPAC Name: ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C2=O
• InChI: InChI=1S/C24H29ClN4O4/c1-3-33-22(31)19-13-20-21(30)28(14-16-9-11-17(25)12-10-16)24(2,15-29(20)27-19)23(32)26-18-7-5-4-6-8-18/h9-13,18H,3-8,14-15H2,1-2H3,(H,26,32)/t24-/m1/s1
• InChIKey: DMKXTQIGPXIKHK-XMMPIXPASA-N
• XLogP: 3.58
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.97
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92744924) is ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C2=O.

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

The InChIKey is DMKXTQIGPXIKHK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-3-33-22(31)19-13-20-21(30)28(14-16-9-11-17(25)12-10-16)24(2,15-29(20)27-19)23(32)26-18-7-5-4-6-8-18/h9-13,18H,3-8,14-15H2,1-2H3,(H,26,32)/t24-/m1/s1.

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

ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 472.97 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92744924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).