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

C25H32N4O4 — CID 50758902

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

methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50758902) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 50758902
• Molecular Formula: C25H32N4O4
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.24
• IUPAC Name: methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: COC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCC(C)CC1)N(c1cc(C)cc(C)c1)C2=O
• InChI: InChI=1S/C25H32N4O4/c1-15-6-8-18(9-7-15)26-24(32)25(4)14-28-21(13-20(27-28)23(31)33-5)22(30)29(25)19-11-16(2)10-17(3)12-19/h10-13,15,18H,6-9,14H2,1-5H3,(H,26,32)
• InChIKey: SPHGTJXSRNPTRG-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50758902) is methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCC(C)CC1)N(c1cc(C)cc(C)c1)C2=O.

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

The InChIKey is SPHGTJXSRNPTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-15-6-8-18(9-7-15)26-24(32)25(4)14-28-21(13-20(27-28)23(31)33-5)22(30)29(25)19-11-16(2)10-17(3)12-19/h10-13,15,18H,6-9,14H2,1-5H3,(H,26,32).

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

methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 452.56 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50758902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).