1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

C22H26FN5O4 — CID 92570369

About 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one (PubChem CID 92570369) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
• PubChem CID: 92570369
• Molecular Formula: C22H26FN5O4
• Molecular Weight: 443.48 g/mol
• Exact Mass: 443.20
• IUPAC Name: 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
• SMILES: Nc1c(C(=O)[C@@H]2CCCN2C(=O)COCCN2CCCC2=O)cnn1-c1ccc(F)cc1
• InChI: InChI=1S/C22H26FN5O4/c23-15-5-7-16(8-6-15)28-22(24)17(13-25-28)21(31)18-3-1-10-27(18)20(30)14-32-12-11-26-9-2-4-19(26)29/h5-8,13,18H,1-4,9-12,14,24H2/t18-/m0/s1
• InChIKey: DANVUZLWDHOKDO-SFHVURJKSA-N
• XLogP: 1.41
• TPSA: 110.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.48
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one (CID 92570369) is 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one is Nc1c(C(=O)[C@@H]2CCCN2C(=O)COCCN2CCCC2=O)cnn1-c1ccc(F)cc1.

What is the InChIKey of 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?

The InChIKey is DANVUZLWDHOKDO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26FN5O4/c23-15-5-7-16(8-6-15)28-22(24)17(13-25-28)21(31)18-3-1-10-27(18)20(30)14-32-12-11-26-9-2-4-19(26)29/h5-8,13,18H,1-4,9-12,14,24H2/t18-/m0/s1.

What are the key properties of 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?

1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 443.48 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 92570369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).