(2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

C23H21F4N5O4S — CID 144826541

About (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

(2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 144826541) has the molecular formula C23H21F4N5O4S and a molecular weight of 539.51 g/mol. Its IUPAC name is (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
• PubChem CID: 144826541
• Molecular Formula: C23H21F4N5O4S
• Molecular Weight: 539.51 g/mol
• Exact Mass: 539.13
• IUPAC Name: (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
• SMILES: C=C[C@@]1(C(=O)NCc2cn(-c3ccc(C(F)(F)F)nc3)[nH]c2=O)CCCN1S(=O)(=O)c1ccc(F)cc1
• InChI: InChI=1S/C23H21F4N5O4S/c1-2-22(10-3-11-32(22)37(35,36)18-7-4-16(24)5-8-18)21(34)29-12-15-14-31(30-20(15)33)17-6-9-19(28-13-17)23(25,26)27/h2,4-9,13-14H,1,3,10-12H2,(H,29,34)(H,30,33)/t22-/m0/s1
• InChIKey: JZUCZWRTJCNCCA-QFIPXVFZSA-N
• XLogP: 2.74
• TPSA: 117.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.51
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 144826541) is (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is C=C[C@@]1(C(=O)NCc2cn(-c3ccc(C(F)(F)F)nc3)[nH]c2=O)CCCN1S(=O)(=O)c1ccc(F)cc1.

What is the InChIKey of (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?

The InChIKey is JZUCZWRTJCNCCA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21F4N5O4S/c1-2-22(10-3-11-32(22)37(35,36)18-7-4-16(24)5-8-18)21(34)29-12-15-14-31(30-20(15)33)17-6-9-19(28-13-17)23(25,26)27/h2,4-9,13-14H,1,3,10-12H2,(H,29,34)(H,30,33)/t22-/m0/s1.

What are the key properties of (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?

(2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 539.51 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-ethenyl-1-(4-fluorophenyl)sulfonyl-N-[[5-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144826541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).