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

C21H19F3N6O2 — CID 150764945

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

3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 150764945) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is 3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 150764945
• Molecular Formula: C21H19F3N6O2
• Molecular Weight: 444.42 g/mol
• Exact Mass: 444.15
• IUPAC Name: 3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: N#CC1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C(C2CC2)C3)C1
• InChI: InChI=1S/C21H19F3N6O2/c22-14-4-13(5-15(23)20(14)24)27-21(32)29-9-18-16(28-8-11(6-25)3-19(28)31)7-26-30(18)10-17(29)12-1-2-12/h4-5,7,11-12,17H,1-3,8-10H2,(H,27,32)
• InChIKey: JYPUPZWANCHOCX-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 94.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.42
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 3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 150764945) is 3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

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

The canonical SMILES for 3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is N#CC1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C(C2CC2)C3)C1.

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

The InChIKey is JYPUPZWANCHOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c22-14-4-13(5-15(23)20(14)24)27-21(32)29-9-18-16(28-8-11(6-25)3-19(28)31)7-26-30(18)10-17(29)12-1-2-12/h4-5,7,11-12,17H,1-3,8-10H2,(H,27,32).

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

3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyano-2-oxopyrrolidin-1-yl)-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 150764945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).