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

C24H29ClN4O4 — CID 92744670

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

methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92744670) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92744670
• Molecular Formula: C24H29ClN4O4
• Molecular Weight: 472.97 g/mol
• Exact Mass: 472.19
• IUPAC Name: methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCC(C)CC1)N(Cc1ccccc1Cl)C2=O
• InChI: InChI=1S/C24H29ClN4O4/c1-15-8-10-17(11-9-15)26-23(32)24(2)14-29-20(12-19(27-29)22(31)33-3)21(30)28(24)13-16-6-4-5-7-18(16)25/h4-7,12,15,17H,8-11,13-14H2,1-3H3,(H,26,32)/t15?,17?,24-/m1/s1
• InChIKey: JVLFIEAZWNDRND-NQVMDJNJSA-N
• XLogP: 3.43
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.97
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92744670) is methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCC(C)CC1)N(Cc1ccccc1Cl)C2=O.

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

The InChIKey is JVLFIEAZWNDRND-NQVMDJNJSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-15-8-10-17(11-9-15)26-23(32)24(2)14-29-20(12-19(27-29)22(31)33-3)21(30)28(24)13-16-6-4-5-7-18(16)25/h4-7,12,15,17H,8-11,13-14H2,1-3H3,(H,26,32)/t15?,17?,24-/m1/s1.

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

methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 472.97 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92744670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).