3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide

C126H115F2N25O6 — CID 159683502

About 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide

3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 159683502) has the molecular formula C126H115F2N25O6 and a molecular weight of 2113.47 g/mol. Its IUPAC name is 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
• PubChem CID: 159683502
• Molecular Formula: C126H115F2N25O6
• Molecular Weight: 2113.47 g/mol
• Exact Mass: 2111.94
• IUPAC Name: 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
• SMILES: CC(F)(F)c1ccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)cc1.COc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.Cc1cccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)c1.Cc1cccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)c1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1
• InChI: InChI=1S/C26H23F2N5O.C25H23N5O2.3C25H23N5O/c1-26(27,28)23-10-6-19(7-11-23)5-8-21-16-22(9-12-24(21)33-15-3-14-32-33)25(34)29-13-2-4-20-17-30-31-18-20;1-32-24-8-3-2-7-20(24)9-10-21-16-22(11-12-23(21)30-15-5-14-29-30)25(31)26-13-4-6-19-17-27-28-18-19;1-20-5-2-6-21(17-20)7-8-22-18-23(9-10-24(22)30-15-4-12-28-30)25(31)27-11-3-14-29-16-13-26-19-29;1-19-5-2-6-20(15-19)8-9-22-16-23(10-11-24(22)30-14-4-13-29-30)25(31)26-12-3-7-21-17-27-28-18-21;1-19-6-2-3-8-21(19)9-10-22-16-23(11-12-24(22)30-15-5-14-29-30)25(31)26-13-4-7-20-17-27-28-18-20/h3,6-7,9-12,14-18H,2,4,13H2,1H3,(H,29,34)(H,30,31);2-3,5,7-8,11-12,14-18H,4,6,13H2,1H3,(H,26,31)(H,27,28);2,4-6,9-10,12-13,15-19H,3,11,14H2,1H3,(H,27,31);2,4-6,10-11,13-18H,3,7,12H2,1H3,(H,26,31)(H,27,28);2-3,5-6,8,11-12,14-18H,4,7,13H2,1H3,(H,26,31)(H,27,28)
• InChIKey: MVMMCPUXXISTKD-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 376.37 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2113.47
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The IUPAC name of 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide (CID 159683502) is 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide.

What is the SMILES notation for 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The canonical SMILES for 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide is CC(F)(F)c1ccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)cc1.COc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.Cc1cccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)c1.Cc1cccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)c1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.

What is the InChIKey of 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The InChIKey is MVMMCPUXXISTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O.C25H23N5O2.3C25H23N5O/c1-26(27,28)23-10-6-19(7-11-23)5-8-21-16-22(9-12-24(21)33-15-3-14-32-33)25(34)29-13-2-4-20-17-30-31-18-20;1-32-24-8-3-2-7-20(24)9-10-21-16-22(11-12-23(21)30-15-5-14-29-30)25(31)26-13-4-6-19-17-27-28-18-19;1-20-5-2-6-21(17-20)7-8-22-18-23(9-10-24(22)30-15-4-12-28-30)25(31)27-11-3-14-29-16-13-26-19-29;1-19-5-2-6-20(15-19)8-9-22-16-23(10-11-24(22)30-14-4-13-29-30)25(31)26-12-3-7-21-17-27-28-18-21;1-19-6-2-3-8-21(19)9-10-22-16-23(11-12-24(22)30-15-5-14-29-30)25(31)26-13-4-7-20-17-27-28-18-20/h3,6-7,9-12,14-18H,2,4,13H2,1H3,(H,29,34)(H,30,31);2-3,5,7-8,11-12,14-18H,4,6,13H2,1H3,(H,26,31)(H,27,28);2,4-6,9-10,12-13,15-19H,3,11,14H2,1H3,(H,27,31);2,4-6,10-11,13-18H,3,7,12H2,1H3,(H,26,31)(H,27,28);2-3,5-6,8,11-12,14-18H,4,7,13H2,1H3,(H,26,31)(H,27,28).

What are the key properties of 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 2113.47 g/mol, XLogP of 18.77, 32 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 159683502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).