(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C₂₅H₂₄F₃N₅O₂ — CID 166636507

About (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 166636507) has the molecular formula C₂₅H₂₄F₃N₅O₂ and a molecular weight of 483.49 g/mol. Its IUPAC name is (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 166636507
• Molecular Formula: C₂₅H₂₄F₃N₅O₂
• Molecular Weight: 483.49 g/mol
• Exact Mass: 483.19
• IUPAC Name: (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: C[C@H]1Cn2ncc(N3CC(c4ccccc4)CC3=O)c2CN1C(=O)NCc1cc(F)c(F)c(F)c1
• InChI: InChI=1S/C25H24F3N5O2/c1-15-12-33-22(14-31(15)25(35)29-10-16-7-19(26)24(28)20(27)8-16)21(11-30-33)32-13-18(9-23(32)34)17-5-3-2-4-6-17/h2-8,11,15,18H,9-10,12-14H2,1H3,(H,29,35)/t15-,18?/m0/s1
• InChIKey: ZHBRIDYYTFKTNR-BUSXIPJBSA-N
• XLogP: 3.93
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.49
LogP ≤ 5	3.93
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 (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 166636507) is (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

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

The canonical SMILES for (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CC(c4ccccc4)CC3=O)c2CN1C(=O)NCc1cc(F)c(F)c(F)c1.

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

The InChIKey is ZHBRIDYYTFKTNR-BUSXIPJBSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-15-12-33-22(14-31(15)25(35)29-10-16-7-19(26)24(28)20(27)8-16)21(11-30-33)32-13-18(9-23(32)34)17-5-3-2-4-6-17/h2-8,11,15,18H,9-10,12-14H2,1H3,(H,29,35)/t15-,18?/m0/s1.

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

(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 166636507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166636507 — identifiers, structure, computed properties (public domain)

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