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

C24H30N4O5 — CID 92744665

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

methyl (6S)-5-(3-methoxyphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92744665) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is methyl (6S)-5-(3-methoxyphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: methyl (6S)-5-(3-methoxyphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92744665
• Molecular Formula: C24H30N4O5
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.22
• IUPAC Name: methyl (6S)-5-(3-methoxyphenyl)-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(c1cccc(OC)c1)C2=O
• InChI: InChI=1S/C24H30N4O5/c1-15-8-10-16(11-9-15)25-23(31)24(2)14-27-20(13-19(26-27)22(30)33-4)21(29)28(24)17-6-5-7-18(12-17)32-3/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,25,31)/t15?,16?,24-/m0/s1
• InChIKey: UGRDUHCECURWFN-WLNDFMDLSA-N
• XLogP: 2.79
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl (6S)-5-(3-methoxyphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92744665) is methyl (6S)-5-(3-methoxyphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for methyl (6S)-5-(3-methoxyphenyl)-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(c1cccc(OC)c1)C2=O.

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

The InChIKey is UGRDUHCECURWFN-WLNDFMDLSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-15-8-10-16(11-9-15)25-23(31)24(2)14-27-20(13-19(26-27)22(30)33-4)21(29)28(24)17-6-5-7-18(12-17)32-3/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,25,31)/t15?,16?,24-/m0/s1.

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

methyl (6S)-5-(3-methoxyphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 454.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6S)-5-(3-methoxyphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92744665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).