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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide

C104H82F18N22O9 — CID 159756995

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide (PubChem CID 159756995) has the molecular formula C104H82F18N22O9 and a molecular weight of 2125.91 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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide.

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide
• PubChem CID: 159756995
• Molecular Formula: C104H82F18N22O9
• Molecular Weight: 2125.91 g/mol
• Exact Mass: 2124.63
• 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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide
• SMILES: CC(=O)Nc1cc(-c2ccncc2)nn1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CC(=O)Nc1cc(-c2ccncc2)nn1-c1ccccc1.CC(O)(c1ccc(-n2nc(-c3ccncc3)cc2NC(=O)c2ccc(C#N)cc2)cc1)C(F)(F)F.CC(O)(c1ccc(-n2nc(-c3ccncc3)cc2NC(=O)c2ccncc2)cc1)C(F)(F)F.CCCC(=O)Nc1cc(-c2ccncc2)nn1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
• InChI: InChI=1S/C25H18F3N5O2.C23H18F3N5O2.C21H18F6N4O2.C19H14F6N4O2.C16H14N4O/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;1-22(33,23(24,25)26)17-2-4-18(5-3-17)31-20(29-21(32)16-8-12-28-13-9-16)14-19(30-31)15-6-10-27-11-7-15;1-2-3-18(32)29-17-12-16(13-8-10-28-11-9-13)30-31(17)15-6-4-14(5-7-15)19(33,20(22,23)24)21(25,26)27;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;1-12(21)18-16-11-15(13-7-9-17-10-8-13)19-20(16)14-5-3-2-4-6-14/h2-14,35H,1H3,(H,31,34);2-14,33H,1H3,(H,29,32);4-12,33H,2-3H2,1H3,(H,29,32);2-10,31H,1H3,(H,27,30);2-11H,1H3,(H,18,21)
• InChIKey: NEJWNYZMNXLOOJ-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 416.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.91
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide?

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide (CID 159756995) 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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide.

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide?

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide is CC(=O)Nc1cc(-c2ccncc2)nn1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CC(=O)Nc1cc(-c2ccncc2)nn1-c1ccccc1.CC(O)(c1ccc(-n2nc(-c3ccncc3)cc2NC(=O)c2ccc(C#N)cc2)cc1)C(F)(F)F.CC(O)(c1ccc(-n2nc(-c3ccncc3)cc2NC(=O)c2ccncc2)cc1)C(F)(F)F.CCCC(=O)Nc1cc(-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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide?

The InChIKey is NEJWNYZMNXLOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2.C23H18F3N5O2.C21H18F6N4O2.C19H14F6N4O2.C16H14N4O/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;1-22(33,23(24,25)26)17-2-4-18(5-3-17)31-20(29-21(32)16-8-12-28-13-9-16)14-19(30-31)15-6-10-27-11-7-15;1-2-3-18(32)29-17-12-16(13-8-10-28-11-9-13)30-31(17)15-6-4-14(5-7-15)19(33,20(22,23)24)21(25,26)27;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;1-12(21)18-16-11-15(13-7-9-17-10-8-13)19-20(16)14-5-3-2-4-6-14/h2-14,35H,1H3,(H,31,34);2-14,33H,1H3,(H,29,32);4-12,33H,2-3H2,1H3,(H,29,32);2-10,31H,1H3,(H,27,30);2-11H,1H3,(H,18,21).

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide?

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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide has a molecular weight of 2125.91 g/mol, XLogP of 21.26, 23 rotatable bonds, 9 hydrogen bond donors, and 26 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;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 159756995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).