tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide

C133H123FN24O8 — CID 157361625

About tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide

tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 157361625) has the molecular formula C133H123FN24O8 and a molecular weight of 2204.60 g/mol. Its IUPAC name is tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

• Compound Name: tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
• PubChem CID: 157361625
• Molecular Formula: C133H123FN24O8
• Molecular Weight: 2204.60 g/mol
• Exact Mass: 2202.99
• IUPAC Name: tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
• SMILES: CC(C)(C)OC(=O)NCc1ccc(C#Cc2cc(C(=O)NCCCc3cc[nH]c3)ccc2-n2cccn2)cc1.CNC(=O)c1cccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccc2)c1.Cc1ccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)nc1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1
• InChI: InChI=1S/C31H33N5O3.C27H22FN3O.C27H25N5O2.C24H22N6O.C24H21N5O/c1-31(2,3)39-30(38)34-22-25-9-7-23(8-10-25)11-12-26-20-27(13-14-28(26)36-19-5-17-35-36)29(37)33-16-4-6-24-15-18-32-21-24;28-25-13-9-20(10-14-25)8-11-23-17-24(12-15-26(23)22-6-2-1-3-7-22)27(32)29-16-4-5-21-18-30-31-19-21;1-28-26(33)23-8-4-6-20(16-23)9-10-22-17-24(11-12-25(22)32-14-2-3-15-32)27(34)29-13-5-7-21-18-30-31-19-21;1-18-5-8-22(26-15-18)9-6-20-14-21(7-10-23(20)30-13-3-12-29-30)24(31)25-11-2-4-19-16-27-28-17-19;30-24(26-12-4-15-28-17-14-25-19-28)22-10-11-23(29-16-5-13-27-29)21(18-22)9-8-20-6-2-1-3-7-20/h5,7-10,13-15,17-21,32H,4,6,16,22H2,1-3H3,(H,33,37)(H,34,38);1-3,6-7,9-10,12-15,17-19H,4-5,16H2,(H,29,32)(H,30,31);2-4,6,8,11-12,14-19H,5,7,13H2,1H3,(H,28,33)(H,29,34)(H,30,31);3,5,7-8,10,12-17H,2,4,11H2,1H3,(H,25,31)(H,27,28);1-3,5-7,10-11,13-14,16-19H,4,12,15H2,(H,26,30)
• InChIKey: BIRYMVOTUOVQEA-UHFFFAOYSA-N
• XLogP: 19.64
• TPSA: 403.86 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.60
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

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 tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The IUPAC name of tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide (CID 157361625) is tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide.

What is the SMILES notation for tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The canonical SMILES for tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide is CC(C)(C)OC(=O)NCc1ccc(C#Cc2cc(C(=O)NCCCc3cc[nH]c3)ccc2-n2cccn2)cc1.CNC(=O)c1cccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccc2)c1.Cc1ccc(C#Cc2cc(C(=O)NCCCc3cn[nH]c3)ccc2-n2cccn2)nc1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.

What is the InChIKey of tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The InChIKey is BIRYMVOTUOVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3.C27H22FN3O.C27H25N5O2.C24H22N6O.C24H21N5O/c1-31(2,3)39-30(38)34-22-25-9-7-23(8-10-25)11-12-26-20-27(13-14-28(26)36-19-5-17-35-36)29(37)33-16-4-6-24-15-18-32-21-24;28-25-13-9-20(10-14-25)8-11-23-17-24(12-15-26(23)22-6-2-1-3-7-22)27(32)29-16-4-5-21-18-30-31-19-21;1-28-26(33)23-8-4-6-20(16-23)9-10-22-17-24(11-12-25(22)32-14-2-3-15-32)27(34)29-13-5-7-21-18-30-31-19-21;1-18-5-8-22(26-15-18)9-6-20-14-21(7-10-23(20)30-13-3-12-29-30)24(31)25-11-2-4-19-16-27-28-17-19;30-24(26-12-4-15-28-17-14-25-19-28)22-10-11-23(29-16-5-13-27-29)21(18-22)9-8-20-6-2-1-3-7-20/h5,7-10,13-15,17-21,32H,4,6,16,22H2,1-3H3,(H,33,37)(H,34,38);1-3,6-7,9-10,12-15,17-19H,4-5,16H2,(H,29,32)(H,30,31);2-4,6,8,11-12,14-19H,5,7,13H2,1H3,(H,28,33)(H,29,34)(H,30,31);3,5,7-8,10,12-17H,2,4,11H2,1H3,(H,25,31)(H,27,28);1-3,5-7,10-11,13-14,16-19H,4,12,15H2,(H,26,30).

What are the key properties of tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 2204.60 g/mol, XLogP of 19.64, 33 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 157361625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).