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

C20H19F3N6O2 — CID 121484394

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

(6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484394) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is (6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: (6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 121484394
• Molecular Formula: C20H19F3N6O2
• Molecular Weight: 432.41 g/mol
• Exact Mass: 432.15
• IUPAC Name: (6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: CC1C(C#N)CC(=O)N1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H](C)C2
• InChI: InChI=1S/C20H19F3N6O2/c1-10-8-28-17(16(7-25-28)29-11(2)12(6-24)3-18(29)30)9-27(10)20(31)26-13-4-14(21)19(23)15(22)5-13/h4-5,7,10-12H,3,8-9H2,1-2H3,(H,26,31)/t10-,11?,12?/m0/s1
• InChIKey: MGPDOOMOCKLTHO-UNXYVOJBSA-N
• XLogP: 3.00
• TPSA: 94.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.41
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484394) is (6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

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

The canonical SMILES for (6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1C(C#N)CC(=O)N1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H](C)C2.

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

The InChIKey is MGPDOOMOCKLTHO-UNXYVOJBSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-10-8-28-17(16(7-25-28)29-11(2)12(6-24)3-18(29)30)9-27(10)20(31)26-13-4-14(21)19(23)15(22)5-13/h4-5,7,10-12H,3,8-9H2,1-2H3,(H,26,31)/t10-,11?,12?/m0/s1.

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

(6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3-(3-cyano-2-methyl-5-oxopyrrolidin-1-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).