5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

C18H19F3N4O2 — CID 71830409

About 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 71830409) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
• PubChem CID: 71830409
• Molecular Formula: C18H19F3N4O2
• Molecular Weight: 380.37 g/mol
• Exact Mass: 380.15
• IUPAC Name: 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
• SMILES: O=C(NCCc1ccccc1)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
• InChI: InChI=1S/C18H19F3N4O2/c19-18(20,21)12-24-11-15(9-23-24)25-10-14(8-16(25)26)17(27)22-7-6-13-4-2-1-3-5-13/h1-5,9,11,14H,6-8,10,12H2,(H,22,27)
• InChIKey: XQLBTFREAXQCCP-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.37
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?

The IUPAC name of 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 71830409) is 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is O=C(NCCc1ccccc1)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1.

What is the InChIKey of 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?

The InChIKey is XQLBTFREAXQCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)12-24-11-15(9-23-24)25-10-14(8-16(25)26)17(27)22-7-6-13-4-2-1-3-5-13/h1-5,9,11,14H,6-8,10,12H2,(H,22,27).

What are the key properties of 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?

5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71830409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).