N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C31H38N4O2 — CID 22522394

About N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522394) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 22522394
• Molecular Formula: C31H38N4O2
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.30
• IUPAC Name: N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1ccccc1CN1C(=O)c2cc(-c3ccc(C(C)C)cc3)nn2CC1(C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C31H38N4O2/c1-21(2)23-14-16-24(17-15-23)27-18-28-29(36)34(19-25-11-9-8-10-22(25)3)31(4,20-35(28)33-27)30(37)32-26-12-6-5-7-13-26/h8-11,14-18,21,26H,5-7,12-13,19-20H2,1-4H3,(H,32,37)
• InChIKey: NDROLPHZGNPQRE-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522394) is N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccccc1CN1C(=O)c2cc(-c3ccc(C(C)C)cc3)nn2CC1(C)C(=O)NC1CCCCC1.

What is the InChIKey of N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is NDROLPHZGNPQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2/c1-21(2)23-14-16-24(17-15-23)27-18-28-29(36)34(19-25-11-9-8-10-22(25)3)31(4,20-35(28)33-27)30(37)32-26-12-6-5-7-13-26/h8-11,14-18,21,26H,5-7,12-13,19-20H2,1-4H3,(H,32,37).

What are the key properties of N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 498.67 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).