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

C31H38N4O2 — CID 22522370

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

N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522370) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 22522370
• Molecular Formula: C31H38N4O2
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.30
• IUPAC Name: N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(CC(C)c2ccccc2)C3=O)cc1
• InChI: InChI=1S/C31H38N4O2/c1-4-23-15-17-25(18-16-23)27-19-28-29(36)34(20-22(2)24-11-7-5-8-12-24)31(3,21-35(28)33-27)30(37)32-26-13-9-6-10-14-26/h5,7-8,11-12,15-19,22,26H,4,6,9-10,13-14,20-21H2,1-3H3,(H,32,37)
• InChIKey: VNCXDOQYQBTUGS-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522370) is N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(CC(C)c2ccccc2)C3=O)cc1.

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

The InChIKey is VNCXDOQYQBTUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2/c1-4-23-15-17-25(18-16-23)27-19-28-29(36)34(20-22(2)24-11-7-5-8-12-24)31(3,21-35(28)33-27)30(37)32-26-13-9-6-10-14-26/h5,7-8,11-12,15-19,22,26H,4,6,9-10,13-14,20-21H2,1-3H3,(H,32,37).

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

N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 498.67 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).