2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide

C17H24F3N5O3 — CID 112835165

About 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide

2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 112835165) has the molecular formula C17H24F3N5O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide
• PubChem CID: 112835165
• Molecular Formula: C17H24F3N5O3
• Molecular Weight: 403.41 g/mol
• Exact Mass: 403.18
• IUPAC Name: 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide
• SMILES: Cn1ccnc1C(O)(CCNC(=O)N1CCCC1C(=O)NC1CC1)C(F)(F)F
• InChI: InChI=1S/C17H24F3N5O3/c1-24-10-8-21-14(24)16(28,17(18,19)20)6-7-22-15(27)25-9-2-3-12(25)13(26)23-11-4-5-11/h8,10-12,28H,2-7,9H2,1H3,(H,22,27)(H,23,26)
• InChIKey: YVZUEAMSZFMZTC-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 99.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.41
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide?

The IUPAC name of 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide (CID 112835165) is 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide.

What is the SMILES notation for 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide?

The canonical SMILES for 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide is Cn1ccnc1C(O)(CCNC(=O)N1CCCC1C(=O)NC1CC1)C(F)(F)F.

What is the InChIKey of 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide?

The InChIKey is YVZUEAMSZFMZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O3/c1-24-10-8-21-14(24)16(28,17(18,19)20)6-7-22-15(27)25-9-2-3-12(25)13(26)23-11-4-5-11/h8,10-12,28H,2-7,9H2,1H3,(H,22,27)(H,23,26).

What are the key properties of 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide?

2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 403.41 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclopropyl-1-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 112835165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).