N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C30H33N5O2 — CID 170713527

About N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170713527) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170713527
• Molecular Formula: C30H33N5O2
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.26
• IUPAC Name: N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: CC(C)(C)CC1CC(Cc2ccc(N3CCn4ncc(C(=O)Nc5cccc(C#N)c5)c4C3=O)cc2)C1
• InChI: InChI=1S/C30H33N5O2/c1-30(2,3)17-23-14-22(15-23)13-20-7-9-25(10-8-20)34-11-12-35-27(29(34)37)26(19-32-35)28(36)33-24-6-4-5-21(16-24)18-31/h4-10,16,19,22-23H,11-15,17H2,1-3H3,(H,33,36)
• InChIKey: PNOZTCNOAYXXIH-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 91.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170713527) is N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is CC(C)(C)CC1CC(Cc2ccc(N3CCn4ncc(C(=O)Nc5cccc(C#N)c5)c4C3=O)cc2)C1.

What is the InChIKey of N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is PNOZTCNOAYXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-30(2,3)17-23-14-22(15-23)13-20-7-9-25(10-8-20)34-11-12-35-27(29(34)37)26(19-32-35)28(36)33-24-6-4-5-21(16-24)18-31/h4-10,16,19,22-23H,11-15,17H2,1-3H3,(H,33,36).

What are the key properties of N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170713527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).