4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide

C89H67F18N17O11S — CID 158270048

About 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide

4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide (PubChem CID 158270048) has the molecular formula C89H67F18N17O11S and a molecular weight of 1924.65 g/mol. Its IUPAC name is 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide
• PubChem CID: 158270048
• Molecular Formula: C89H67F18N17O11S
• Molecular Weight: 1924.65 g/mol
• Exact Mass: 1923.46
• IUPAC Name: 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide
• SMILES: CC(=O)Nc1cc(-c2ccncc2)nn1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CC(O)(c1ccc(-n2nc(-c3ccncc3)cc2NC(=O)c2ccc(C#N)cc2)cc1)C(F)(F)F.COc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2-c2ccc(C(C)(O)C(F)(F)F)cc2)cc1.O=C1CCC(=O)N1c1cc(-c2ccncc2)nn1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
• InChI: InChI=1S/C25H18F3N5O2.C24H21F3N4O4S.C21H14F6N4O3.C19H14F6N4O2/c1-24(35,25(26,27)28)19-6-8-20(9-7-19)33-22(14-21(32-33)17-10-12-30-13-11-17)31-23(34)18-4-2-16(15-29)3-5-18;1-23(32,24(25,26)27)17-3-5-18(6-4-17)31-22(15-21(29-31)16-11-13-28-14-12-16)30-36(33,34)20-9-7-19(35-2)8-10-20;22-20(23,24)19(34,21(25,26)27)13-1-3-14(4-2-13)31-16(30-17(32)5-6-18(30)33)11-15(29-31)12-7-9-28-10-8-12;1-11(30)27-16-10-15(12-6-8-26-9-7-12)28-29(16)14-4-2-13(3-5-14)17(31,18(20,21)22)19(23,24)25/h2-14,35H,1H3,(H,31,34);3-15,30,32H,1-2H3;1-4,7-11,34H,5-6H2;2-10,31H,1H3,(H,27,30)
• InChIKey: GIXLXNHMYYIJBT-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 378.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.65
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide?

The IUPAC name of 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide (CID 158270048) is 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide.

What is the SMILES notation for 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide?

The canonical SMILES for 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide is CC(=O)Nc1cc(-c2ccncc2)nn1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CC(O)(c1ccc(-n2nc(-c3ccncc3)cc2NC(=O)c2ccc(C#N)cc2)cc1)C(F)(F)F.COc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2-c2ccc(C(C)(O)C(F)(F)F)cc2)cc1.O=C1CCC(=O)N1c1cc(-c2ccncc2)nn1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.

What is the InChIKey of 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide?

The InChIKey is GIXLXNHMYYIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2.C24H21F3N4O4S.C21H14F6N4O3.C19H14F6N4O2/c1-24(35,25(26,27)28)19-6-8-20(9-7-19)33-22(14-21(32-33)17-10-12-30-13-11-17)31-23(34)18-4-2-16(15-29)3-5-18;1-23(32,24(25,26)27)17-3-5-18(6-4-17)31-22(15-21(29-31)16-11-13-28-14-12-16)30-36(33,34)20-9-7-19(35-2)8-10-20;22-20(23,24)19(34,21(25,26)27)13-1-3-14(4-2-13)31-16(30-17(32)5-6-18(30)33)11-15(29-31)12-7-9-28-10-8-12;1-11(30)27-16-10-15(12-6-8-26-9-7-12)28-29(16)14-4-2-13(3-5-14)17(31,18(20,21)22)19(23,24)25/h2-14,35H,1H3,(H,31,34);3-15,30,32H,1-2H3;1-4,7-11,34H,5-6H2;2-10,31H,1H3,(H,27,30).

What are the key properties of 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide?

4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide has a molecular weight of 1924.65 g/mol, XLogP of 17.45, 20 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;1-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]pyrrolidine-2,5-dione;4-methoxy-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 158270048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).