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

C150H133F5N30O7 — CID 158234278

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

3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide (PubChem CID 158234278) has the molecular formula C150H133F5N30O7 and a molecular weight of 2562.91 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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide
• PubChem CID: 158234278
• Molecular Formula: C150H133F5N30O7
• Molecular Weight: 2562.91 g/mol
• Exact Mass: 2561.09
• IUPAC Name: 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide
• SMILES: CC(F)(F)c1ccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)cc1.Cc1cccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)c1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccccc2C(F)(F)F)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2cccc(O)c2)c1
• InChI: InChI=1S/C26H23F2N5O.C25H20F3N5O.3C25H23N5O.C24H21N5O2/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;26-25(27,28)22-7-2-1-6-19(22)8-9-20-15-21(10-11-23(20)33-14-4-13-32-33)24(34)29-12-3-5-18-16-30-31-17-18;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;2*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;30-22-5-1-4-19(16-22)6-7-20-17-21(8-9-23(20)29-14-3-11-27-29)24(31)26-10-2-13-28-15-12-25-18-28/h3,6-7,9-12,14-18H,2,4,13H2,1H3,(H,29,34)(H,30,31);1-2,4,6-7,10-11,13-17H,3,5,12H2,(H,29,34)(H,30,31);2,4-6,10-11,13-18H,3,7,12H2,1H3,(H,26,31)(H,27,28);2*2-3,5-6,8,11-12,14-18H,4,7,13H2,1H3,(H,26,31)(H,27,28);1,3-5,8-9,11-12,14-18,30H,2,10,13H2,(H,26,31)
• InChIKey: GETPRVNLOLNKPN-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 462.97 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 37
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2562.91
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide (CID 158234278) is 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide is CC(F)(F)c1ccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)cc1.Cc1cccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)c1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccccc2C(F)(F)F)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2cccc(O)c2)c1.

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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide?

The InChIKey is GETPRVNLOLNKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O.C25H20F3N5O.3C25H23N5O.C24H21N5O2/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;26-25(27,28)22-7-2-1-6-19(22)8-9-20-15-21(10-11-23(20)33-14-4-13-32-33)24(34)29-12-3-5-18-16-30-31-17-18;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;2*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;30-22-5-1-4-19(16-22)6-7-20-17-21(8-9-23(20)29-14-3-11-27-29)24(31)26-10-2-13-28-15-12-25-18-28/h3,6-7,9-12,14-18H,2,4,13H2,1H3,(H,29,34)(H,30,31);1-2,4,6-7,10-11,13-17H,3,5,12H2,(H,29,34)(H,30,31);2,4-6,10-11,13-18H,3,7,12H2,1H3,(H,26,31)(H,27,28);2*2-3,5-6,8,11-12,14-18H,4,7,13H2,1H3,(H,26,31)(H,27,28);1,3-5,8-9,11-12,14-18,30H,2,10,13H2,(H,26,31).

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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide?

3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide has a molecular weight of 2562.91 g/mol, XLogP of 22.84, 37 rotatable bonds, 12 hydrogen bond donors, and 26 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;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide is sourced from PubChem (CID 158234278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).