6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C₂₆H₂₃F₄N₅O₂ — CID 151438935

About 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 151438935) has the molecular formula C₂₆H₂₃F₄N₅O₂ and a molecular weight of 513.50 g/mol. Its IUPAC name is 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 151438935
• Molecular Formula: C₂₆H₂₃F₄N₅O₂
• Molecular Weight: 513.50 g/mol
• Exact Mass: 513.18
• IUPAC Name: 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: O=C1CC(c2ccc(F)cc2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2
• InChI: InChI=1S/C26H23F4N5O2/c27-17-5-3-14(4-6-17)16-7-24(36)33(11-16)21-10-31-35-13-22(15-1-2-15)34(12-23(21)35)26(37)32-18-8-19(28)25(30)20(29)9-18/h3-6,8-10,15-16,22H,1-2,7,11-13H2,(H,32,37)
• InChIKey: PECOKJJFWYSGIH-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.50
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 151438935) is 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C1CC(c2ccc(F)cc2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2.

What is the InChIKey of 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is PECOKJJFWYSGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O2/c27-17-5-3-14(4-6-17)16-7-24(36)33(11-16)21-10-31-35-13-22(15-1-2-15)34(12-23(21)35)26(37)32-18-8-19(28)25(30)20(29)9-18/h3-6,8-10,15-16,22H,1-2,7,11-13H2,(H,32,37).

What are the key properties of 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 513.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 151438935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151438935 — identifiers, structure, computed properties (public domain)

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