2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide

C21H25FN4O3 — CID 126462351

About 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide

2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 126462351) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
• PubChem CID: 126462351
• Molecular Formula: C21H25FN4O3
• Molecular Weight: 400.45 g/mol
• Exact Mass: 400.19
• IUPAC Name: 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
• SMILES: CCCc1cc(CN(C)C(=O)CC2(c3ccccc3F)CC(=O)N(C)C2=O)[nH]n1
• InChI: InChI=1S/C21H25FN4O3/c1-4-7-14-10-15(24-23-14)13-25(2)18(27)11-21(12-19(28)26(3)20(21)29)16-8-5-6-9-17(16)22/h5-6,8-10H,4,7,11-13H2,1-3H3,(H,23,24)
• InChIKey: RERBOTUMTZNTRJ-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.45
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?

The IUPAC name of 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide (CID 126462351) is 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide.

What is the SMILES notation for 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?

The canonical SMILES for 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide is CCCc1cc(CN(C)C(=O)CC2(c3ccccc3F)CC(=O)N(C)C2=O)[nH]n1.

What is the InChIKey of 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?

The InChIKey is RERBOTUMTZNTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-4-7-14-10-15(24-23-14)13-25(2)18(27)11-21(12-19(28)26(3)20(21)29)16-8-5-6-9-17(16)22/h5-6,8-10H,4,7,11-13H2,1-3H3,(H,23,24).

What are the key properties of 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?

2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 126462351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).