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

C24H19F5N6O2 — CID 170712779

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

N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170712779) has the molecular formula C24H19F5N6O2 and a molecular weight of 518.45 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170712779
• Molecular Formula: C24H19F5N6O2
• Molecular Weight: 518.45 g/mol
• Exact Mass: 518.15
• IUPAC Name: N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: N#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CNCC(F)(F)C(F)(F)F)cc2)CC3)c1
• InChI: InChI=1S/C24H19F5N6O2/c25-23(26,24(27,28)29)14-31-12-15-4-6-18(7-5-15)34-8-9-35-20(22(34)37)19(13-32-35)21(36)33-17-3-1-2-16(10-17)11-30/h1-7,10,13,31H,8-9,12,14H2,(H,33,36)
• InChIKey: OUGFHADFPPMJFB-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 103.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.45
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170712779) is N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

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

The canonical SMILES for N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is N#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CNCC(F)(F)C(F)(F)F)cc2)CC3)c1.

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

The InChIKey is OUGFHADFPPMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N6O2/c25-23(26,24(27,28)29)14-31-12-15-4-6-18(7-5-15)34-8-9-35-20(22(34)37)19(13-32-35)21(36)33-17-3-1-2-16(10-17)11-30/h1-7,10,13,31H,8-9,12,14H2,(H,33,36).

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

N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 518.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170712779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).