ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C24H32N4O5 — CID 46260975

About ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 46260975) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 46260975
• Molecular Formula: C24H32N4O5
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.24
• IUPAC Name: ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(c1cc(C)ccc1OC)C2=O
• InChI: InChI=1S/C24H32N4O5/c1-7-33-22(30)17-13-19-21(29)28(18-12-16(4)8-9-20(18)32-6)24(5,14-27(19)26-17)23(31)25-11-10-15(2)3/h8-9,12-13,15H,7,10-11,14H2,1-6H3,(H,25,31)
• InChIKey: CYFXAEDODUONQR-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 46260975) is ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(c1cc(C)ccc1OC)C2=O.

What is the InChIKey of ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The InChIKey is CYFXAEDODUONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-7-33-22(30)17-13-19-21(29)28(18-12-16(4)8-9-20(18)32-6)24(5,14-27(19)26-17)23(31)25-11-10-15(2)3/h8-9,12-13,15H,7,10-11,14H2,1-6H3,(H,25,31).

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

ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 456.54 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-(2-methoxy-5-methylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 46260975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).