6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C24H31N5O3 — CID 50758629

About 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758629) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 50758629
• Molecular Formula: C24H31N5O3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.24
• IUPAC Name: 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CCN1C(=O)c2cc(C(=O)NCc3ccccc3C)nn2CC1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C24H31N5O3/c1-4-28-22(31)20-13-19(21(30)25-14-17-10-6-5-9-16(17)2)27-29(20)15-24(28,3)23(32)26-18-11-7-8-12-18/h5-6,9-10,13,18H,4,7-8,11-12,14-15H2,1-3H3,(H,25,30)(H,26,32)
• InChIKey: WQSSLGBTKZHQHO-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The IUPAC name of 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758629) is 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

What is the SMILES notation for 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The canonical SMILES for 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN1C(=O)c2cc(C(=O)NCc3ccccc3C)nn2CC1(C)C(=O)NC1CCCC1.

What is the InChIKey of 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The InChIKey is WQSSLGBTKZHQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-4-28-22(31)20-13-19(21(30)25-14-17-10-6-5-9-16(17)2)27-29(20)15-24(28,3)23(32)26-18-11-7-8-12-18/h5-6,9-10,13,18H,4,7-8,11-12,14-15H2,1-3H3,(H,25,30)(H,26,32).

What are the key properties of 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).