3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide

C248H221ClF6N50O10 — CID 161131044

IUPAC3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide
SMILESC.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccc2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1cccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)c1.Cc1nccn1-c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.Cn1cnc(CNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)c1.O=C(NCCCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccc(C(F)(F)F)cc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2C(F)(F)F)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2Cl)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cnnc2)c(C#Cc2ccccc2)c1
InChIInChI=1S/C26H25N5O.C26H24N4O.2C25H20F3N5O.3C25H23N5O.C24H20ClN5O.C23H20N6O.C23H19N5O.CH4/c32-26(28-14-5-2-6-17-30-19-16-27-21-30)24-12-13-25(31-18-7-15-29-31)23(20-24)11-10-22-8-3-1-4-9-22;1-21-5-7-22(8-6-21)9-10-23-19-24(11-12-25(23)30-16-2-3-17-30)26(31)28-13-4-15-29-18-14-27-20-29;26-25(27,28)22-8-4-19(5-9-22)3-6-20-17-21(7-10-23(20)33-15-2-12-31-33)24(34)30-11-1-14-32-16-13-29-18-32;26-25(27,28)22-6-2-1-5-19(22)7-8-20-17-21(9-10-23(20)33-15-4-12-31-33)24(34)30-11-3-14-32-16-13-29-18-32;1-20-4-6-21(7-5-20)8-9-22-18-23(10-11-24(22)30-16-3-13-28-30)25(31)27-12-2-15-29-17-14-26-19-29;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;1-20-27-14-17-30(20)24-11-10-23(18-22(24)9-8-21-6-3-2-4-7-21)25(31)28-12-5-15-29-16-13-26-19-29;25-22-6-2-1-5-19(22)7-8-20-17-21(9-10-23(20)30-15-4-12-28-30)24(31)27-11-3-14-29-16-13-26-18-29;30-23(25-11-4-13-28-14-12-24-16-28)21-9-10-22(29-17-26-27-18-29)20(15-21)8-7-19-5-2-1-3-6-19;1-27-16-21(25-17-27)15-24-23(29)20-10-11-22(28-13-5-12-26-28)19(14-20)9-8-18-6-3-2-4-7-18;/h1,3-4,7-9,12-13,15-16,18-21H,2,5-6,14,17H2,(H,28,32);2-3,5-8,11-12,14,16-20H,4,13,15H2,1H3,(H,28,31);2,4-5,7-10,12-13,15-18H,1,11,14H2,(H,30,34);1-2,4-6,9-10,12-13,15-18H,3,11,14H2,(H,30,34);3-7,10-11,13-14,16-19H,2,12,15H2,1H3,(H,27,31);2,4-6,9-10,12-13,15-19H,3,11,14H2,1H3,(H,27,31);2-4,6-7,10-11,13-14,16-19H,5,12,15H2,1H3,(H,28,31);1-2,4-6,9-10,12-13,15-18H,3,11,14H2,(H,27,31);1-3,5-6,9-10,12,14-18H,4,11,13H2,(H,25,30);2-7,10-14,16-17H,15H2,1H3,(H,24,29);1H4
InChIKeyUMEMTGNSCUIQCW-UHFFFAOYSA-N
MW4211.28 g/mol
LogP37.87
Rot. Bonds60

About 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide

3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide (PubChem CID 161131044) has the molecular formula C248H221ClF6N50O10 and a molecular weight of 4211.28 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide
PubChem CID161131044
Molecular FormulaC248H221ClF6N50O10
Molecular Weight4211.28 g/mol
Exact Mass4207.79
IUPAC Name3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide
SMILESC.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccc2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1cccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)c1.Cc1nccn1-c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.Cn1cnc(CNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)c1.O=C(NCCCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccc(C(F)(F)F)cc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2C(F)(F)F)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2Cl)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cnnc2)c(C#Cc2ccccc2)c1
InChIInChI=1S/C26H25N5O.C26H24N4O.2C25H20F3N5O.3C25H23N5O.C24H20ClN5O.C23H20N6O.C23H19N5O.CH4/c32-26(28-14-5-2-6-17-30-19-16-27-21-30)24-12-13-25(31-18-7-15-29-31)23(20-24)11-10-22-8-3-1-4-9-22;1-21-5-7-22(8-6-21)9-10-23-19-24(11-12-25(23)30-16-2-3-17-30)26(31)28-13-4-15-29-18-14-27-20-29;26-25(27,28)22-8-4-19(5-9-22)3-6-20-17-21(7-10-23(20)33-15-2-12-31-33)24(34)30-11-1-14-32-16-13-29-18-32;26-25(27,28)22-6-2-1-5-19(22)7-8-20-17-21(9-10-23(20)33-15-4-12-31-33)24(34)30-11-3-14-32-16-13-29-18-32;1-20-4-6-21(7-5-20)8-9-22-18-23(10-11-24(22)30-16-3-13-28-30)25(31)27-12-2-15-29-17-14-26-19-29;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;1-20-27-14-17-30(20)24-11-10-23(18-22(24)9-8-21-6-3-2-4-7-21)25(31)28-12-5-15-29-16-13-26-19-29;25-22-6-2-1-5-19(22)7-8-20-17-21(9-10-23(20)30-15-4-12-28-30)24(31)27-11-3-14-29-16-13-26-18-29;30-23(25-11-4-13-28-14-12-24-16-28)21-9-10-22(29-17-26-27-18-29)20(15-21)8-7-19-5-2-1-3-6-19;1-27-16-21(25-17-27)15-24-23(29)20-10-11-22(28-13-5-12-26-28)19(14-20)9-8-18-6-3-2-4-7-18;/h1,3-4,7-9,12-13,15-16,18-21H,2,5-6,14,17H2,(H,28,32);2-3,5-8,11-12,14,16-20H,4,13,15H2,1H3,(H,28,31);2,4-5,7-10,12-13,15-18H,1,11,14H2,(H,30,34);1-2,4-6,9-10,12-13,15-18H,3,11,14H2,(H,30,34);3-7,10-11,13-14,16-19H,2,12,15H2,1H3,(H,27,31);2,4-6,9-10,12-13,15-19H,3,11,14H2,1H3,(H,27,31);2-4,6-7,10-11,13-14,16-19H,5,12,15H2,1H3,(H,28,31);1-2,4-6,9-10,12-13,15-18H,3,11,14H2,(H,27,31);1-3,5-6,9-10,12,14-18H,4,11,13H2,(H,25,30);2-7,10-14,16-17H,15H2,1H3,(H,24,29);1H4
InChIKeyUMEMTGNSCUIQCW-UHFFFAOYSA-N
XLogP37.87
TPSA647.40 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds60
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004211.28
LogP ≤ 537.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide with MolForge

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Related Compounds

N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 88996442
N-[4-chloro-3-[[[5-cyano-1-[2-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]ethyl]pyrrole-2-carbonyl]amino]methyl]-2-fluorophenyl]-5-[1-(2-fluorophenyl)ethylcarbamoyl]-1-[2-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]ethyl]pyrrole-2-carbonitrilium
CID 123634280
3-[2-[2-fluoro-3-[2-[2-[2-(3-fluorophenyl)ethynyl]-4-(3-imidazol-1-ylpropylcarbamoyl)phenyl]pyrazol-3-yl]phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 123797207
N-[4-chloro-3-[1-[[5-cyano-1-[3-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]propyl]pyrrole-2-carbonyl]amino]ethyl]-2-fluorophenyl]-5-[1-(2-chloro-6-fluorophenyl)ethylcarbamoyl]-1-[[1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]piperidin-4-yl]methyl]pyrrole-2-carbonitrilium
CID 123894430
N-[3-chloro-4-[[[5-cyano-1-[2-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]ethyl]pyrrole-2-carbonyl]amino]methyl]-5-fluorophenyl]-5-[1-(2-fluorophenyl)ethylcarbamoyl]-1-[2-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]ethyl]pyrrole-2-carbonitrilium
CID 123897898
2-fluoro-N-[5-[5-[4-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-1,2-dimethylimidazol-4-yl]phenyl]pyrimidin-2-yl]-2-(4-fluorophenyl)pyrazol-3-yl]-5-(1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 137091868
N-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157779105
3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-5-(trifluoromethyl)benzamide;bis(N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)benzamide);1-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 157789201
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-chloro-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2,3,5-trimethyltriazol-3-ium-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 158019494
2-(4-chlorophenyl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;N-[3-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 158070104
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 158330298
5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-b]pyridazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2,3-difluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane
CID 158454383

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide (CID 161131044) is 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide is C.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccc2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1cccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)c1.Cc1nccn1-c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.Cn1cnc(CNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)c1.O=C(NCCCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccc(C(F)(F)F)cc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2C(F)(F)F)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2Cl)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cnnc2)c(C#Cc2ccccc2)c1.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is UMEMTGNSCUIQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O.C26H24N4O.2C25H20F3N5O.3C25H23N5O.C24H20ClN5O.C23H20N6O.C23H19N5O.CH4/c32-26(28-14-5-2-6-17-30-19-16-27-21-30)24-12-13-25(31-18-7-15-29-31)23(20-24)11-10-22-8-3-1-4-9-22;1-21-5-7-22(8-6-21)9-10-23-19-24(11-12-25(23)30-16-2-3-17-30)26(31)28-13-4-15-29-18-14-27-20-29;26-25(27,28)22-8-4-19(5-9-22)3-6-20-17-21(7-10-23(20)33-15-2-12-31-33)24(34)30-11-1-14-32-16-13-29-18-32;26-25(27,28)22-6-2-1-5-19(22)7-8-20-17-21(9-10-23(20)33-15-4-12-31-33)24(34)30-11-3-14-32-16-13-29-18-32;1-20-4-6-21(7-5-20)8-9-22-18-23(10-11-24(22)30-16-3-13-28-30)25(31)27-12-2-15-29-17-14-26-19-29;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;1-20-27-14-17-30(20)24-11-10-23(18-22(24)9-8-21-6-3-2-4-7-21)25(31)28-12-5-15-29-16-13-26-19-29;25-22-6-2-1-5-19(22)7-8-20-17-21(9-10-23(20)30-15-4-12-28-30)24(31)27-11-3-14-29-16-13-26-18-29;30-23(25-11-4-13-28-14-12-24-16-28)21-9-10-22(29-17-26-27-18-29)20(15-21)8-7-19-5-2-1-3-6-19;1-27-16-21(25-17-27)15-24-23(29)20-10-11-22(28-13-5-12-26-28)19(14-20)9-8-18-6-3-2-4-7-18;/h1,3-4,7-9,12-13,15-16,18-21H,2,5-6,14,17H2,(H,28,32);2-3,5-8,11-12,14,16-20H,4,13,15H2,1H3,(H,28,31);2,4-5,7-10,12-13,15-18H,1,11,14H2,(H,30,34);1-2,4-6,9-10,12-13,15-18H,3,11,14H2,(H,30,34);3-7,10-11,13-14,16-19H,2,12,15H2,1H3,(H,27,31);2,4-6,9-10,12-13,15-19H,3,11,14H2,1H3,(H,27,31);2-4,6-7,10-11,13-14,16-19H,5,12,15H2,1H3,(H,28,31);1-2,4-6,9-10,12-13,15-18H,3,11,14H2,(H,27,31);1-3,5-6,9-10,12,14-18H,4,11,13H2,(H,25,30);2-7,10-14,16-17H,15H2,1H3,(H,24,29);1H4.
What are the key properties of 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide?
3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 4211.28 g/mol, XLogP of 37.87, 60 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(5-imidazol-1-ylpentyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrrol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide;methane;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 161131044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).