3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide

C108H96ClF7N20O8S3 — CID 159774646

About 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide

3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide (PubChem CID 159774646) has the molecular formula C108H96ClF7N20O8S3 and a molecular weight of 2066.73 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide
• PubChem CID: 159774646
• Molecular Formula: C108H96ClF7N20O8S3
• Molecular Weight: 2066.73 g/mol
• Exact Mass: 2064.65
• IUPAC Name: 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide
• SMILES: CS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.Cc1cc(F)c(C(=O)NCc2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)c(F)c1.O=C(NCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)C1CC1.O=S(=O)(Cc1ccccc1)NCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
• InChI: InChI=1S/C23H17F3N4O.C22H18ClFN4O2S.C22H19FN4O2S.C21H21FN4O.C20H21FN4O2S/c1-13-10-17(25)21(18(26)11-13)23(31)28-12-19-20(14-6-8-27-9-7-14)22(30-29-19)15-2-4-16(24)5-3-15;1-14(28-31(29,30)19-4-2-3-17(23)13-19)21-20(15-9-11-25-12-10-15)22(27-26-21)16-5-7-18(24)8-6-16;23-19-8-6-18(7-9-19)22-21(17-10-12-24-13-11-17)20(26-27-22)14-25-30(28,29)15-16-4-2-1-3-5-16;22-17-7-5-15(6-8-17)20-19(14-9-12-23-13-10-14)18(25-26-20)2-1-11-24-21(27)16-3-4-16;1-28(26,27)25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15/h2-11H,12H2,1H3,(H,28,31)(H,29,30);2-14,28H,1H3,(H,26,27);1-13,25H,14-15H2,(H,26,27);5-10,12-13,16H,1-4,11H2,(H,24,27)(H,25,26);2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,24)/t;14-;;;/m.1.../s1
• InChIKey: NGOQFABQSXKXMS-CLSYCHFPSA-N
• XLogP: 20.82
• TPSA: 395.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2066.73
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide?

The IUPAC name of 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide (CID 159774646) is 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide.

What is the SMILES notation for 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide?

The canonical SMILES for 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide is CS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.Cc1cc(F)c(C(=O)NCc2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)c(F)c1.O=C(NCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)C1CC1.O=S(=O)(Cc1ccccc1)NCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.

What is the InChIKey of 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide?

The InChIKey is NGOQFABQSXKXMS-CLSYCHFPSA-N. The full InChI is InChI=1S/C23H17F3N4O.C22H18ClFN4O2S.C22H19FN4O2S.C21H21FN4O.C20H21FN4O2S/c1-13-10-17(25)21(18(26)11-13)23(31)28-12-19-20(14-6-8-27-9-7-14)22(30-29-19)15-2-4-16(24)5-3-15;1-14(28-31(29,30)19-4-2-3-17(23)13-19)21-20(15-9-11-25-12-10-15)22(27-26-21)16-5-7-18(24)8-6-16;23-19-8-6-18(7-9-19)22-21(17-10-12-24-13-11-17)20(26-27-22)14-25-30(28,29)15-16-4-2-1-3-5-16;22-17-7-5-15(6-8-17)20-19(14-9-12-23-13-10-14)18(25-26-20)2-1-11-24-21(27)16-3-4-16;1-28(26,27)25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15/h2-11H,12H2,1H3,(H,28,31)(H,29,30);2-14,28H,1H3,(H,26,27);1-13,25H,14-15H2,(H,26,27);5-10,12-13,16H,1-4,11H2,(H,24,27)(H,25,26);2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,24)/t;14-;;;/m.1.../s1.

What are the key properties of 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide?

3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide has a molecular weight of 2066.73 g/mol, XLogP of 20.82, 29 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 159774646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).