3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide

C196H168Cl2F6N40O10 — CID 160714872

IUPAC3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide
SMILESCc1cccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)c1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccc(C(F)(F)F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2cccc(Cl)c2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2cccc(O)c2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccccc2C(F)(F)F)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccccc2Cl)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2cccc(O)c2)c1
InChIInChI=1S/2C25H20F3N5O.2C25H23N5O.2C24H20ClN5O.2C24H21N5O2/c26-25(27,28)22-9-5-18(6-10-22)4-7-20-15-21(8-11-23(20)33-14-2-13-32-33)24(34)29-12-1-3-19-16-30-31-17-19;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;1-20-5-2-6-21(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;1-19-6-2-3-8-21(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;25-22-6-1-4-18(14-22)7-8-20-15-21(9-10-23(20)30-13-3-12-29-30)24(31)26-11-2-5-19-16-27-28-17-19;25-22-7-2-1-6-19(22)8-9-20-15-21(10-11-23(20)30-14-4-13-29-30)24(31)26-12-3-5-18-16-27-28-17-18;30-22-6-1-4-18(14-22)7-8-20-15-21(9-10-23(20)29-13-3-12-28-29)24(31)25-11-2-5-19-16-26-27-17-19;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/h2,5-6,8-11,13-17H,1,3,12H2,(H,29,34)(H,30,31);1-2,4,6-7,10-11,13-17H,3,5,12H2,(H,29,34)(H,30,31);2,4-6,9-10,12-13,15-19H,3,11,14H2,1H3,(H,27,31);2-3,5-6,8,11-12,14-18H,4,7,13H2,1H3,(H,26,31)(H,27,28);1,3-4,6,9-10,12-17H,2,5,11H2,(H,26,31)(H,27,28);1-2,4,6-7,10-11,13-17H,3,5,12H2,(H,26,31)(H,27,28);1,3-4,6,9-10,12-17,30H,2,5,11H2,(H,25,31)(H,26,27);1,3-5,8-9,11-12,14-18,30H,2,10,13H2,(H,26,31)
InChIKeyRSIMVASCLWAWPG-UHFFFAOYSA-N
MW3428.66 g/mol
LogP30.10
Rot. Bonds48

About 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide

3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide (PubChem CID 160714872) has the molecular formula C196H168Cl2F6N40O10 and a molecular weight of 3428.66 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide
PubChem CID160714872
Molecular FormulaC196H168Cl2F6N40O10
Molecular Weight3428.66 g/mol
Exact Mass3425.31
IUPAC Name3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide
SMILESCc1cccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)c1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccc(C(F)(F)F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2cccc(Cl)c2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2cccc(O)c2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccccc2C(F)(F)F)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccccc2Cl)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2cccc(O)c2)c1
InChIInChI=1S/2C25H20F3N5O.2C25H23N5O.2C24H20ClN5O.2C24H21N5O2/c26-25(27,28)22-9-5-18(6-10-22)4-7-20-15-21(8-11-23(20)33-14-2-13-32-33)24(34)29-12-1-3-19-16-30-31-17-19;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;1-20-5-2-6-21(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;1-19-6-2-3-8-21(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;25-22-6-1-4-18(14-22)7-8-20-15-21(9-10-23(20)30-13-3-12-29-30)24(31)26-11-2-5-19-16-27-28-17-19;25-22-7-2-1-6-19(22)8-9-20-15-21(10-11-23(20)30-14-4-13-29-30)24(31)26-12-3-5-18-16-27-28-17-18;30-22-6-1-4-18(14-22)7-8-20-15-21(9-10-23(20)29-13-3-12-28-29)24(31)25-11-2-5-19-16-26-27-17-19;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/h2,5-6,8-11,13-17H,1,3,12H2,(H,29,34)(H,30,31);1-2,4,6-7,10-11,13-17H,3,5,12H2,(H,29,34)(H,30,31);2,4-6,9-10,12-13,15-19H,3,11,14H2,1H3,(H,27,31);2-3,5-6,8,11-12,14-18H,4,7,13H2,1H3,(H,26,31)(H,27,28);1,3-4,6,9-10,12-17H,2,5,11H2,(H,26,31)(H,27,28);1-2,4,6-7,10-11,13-17H,3,5,12H2,(H,26,31)(H,27,28);1,3-4,6,9-10,12-17,30H,2,5,11H2,(H,25,31)(H,26,27);1,3-5,8-9,11-12,14-18,30H,2,10,13H2,(H,26,31)
InChIKeyRSIMVASCLWAWPG-UHFFFAOYSA-N
XLogP30.10
TPSA623.54 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003428.66
LogP ≤ 530.10
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide with MolForge

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Related Compounds

3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(4H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide)
CID 157674832
3-[2-[3-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;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-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157730782
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
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
3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;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
CID 160448719
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
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 157962525
3-[2-(4-ethylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-hydroxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methoxyphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(3-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157993609
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;bis(4-tert-butylnaphthalen-2-ol);4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butylquinazolin-2-amine;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158116559
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158142435
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indazole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159450316
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;bis(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159503097

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide?
The IUPAC name of 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide (CID 160714872) is 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide is Cc1cccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)c1.Cc1ccccc1C#Cc1cc(C(=O)NCCCc2cn[nH]c2)ccc1-n1cccn1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccc(C(F)(F)F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2cccc(Cl)c2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2cccc(O)c2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccccc2C(F)(F)F)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2cccn2)c(C#Cc2ccccc2Cl)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2cccc(O)c2)c1.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide?
The InChIKey is RSIMVASCLWAWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H20F3N5O.2C25H23N5O.2C24H20ClN5O.2C24H21N5O2/c26-25(27,28)22-9-5-18(6-10-22)4-7-20-15-21(8-11-23(20)33-14-2-13-32-33)24(34)29-12-1-3-19-16-30-31-17-19;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;1-20-5-2-6-21(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;1-19-6-2-3-8-21(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;25-22-6-1-4-18(14-22)7-8-20-15-21(9-10-23(20)30-13-3-12-29-30)24(31)26-11-2-5-19-16-27-28-17-19;25-22-7-2-1-6-19(22)8-9-20-15-21(10-11-23(20)30-14-4-13-29-30)24(31)26-12-3-5-18-16-27-28-17-18;30-22-6-1-4-18(14-22)7-8-20-15-21(9-10-23(20)29-13-3-12-28-29)24(31)25-11-2-5-19-16-26-27-17-19;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/h2,5-6,8-11,13-17H,1,3,12H2,(H,29,34)(H,30,31);1-2,4,6-7,10-11,13-17H,3,5,12H2,(H,29,34)(H,30,31);2,4-6,9-10,12-13,15-19H,3,11,14H2,1H3,(H,27,31);2-3,5-6,8,11-12,14-18H,4,7,13H2,1H3,(H,26,31)(H,27,28);1,3-4,6,9-10,12-17H,2,5,11H2,(H,26,31)(H,27,28);1-2,4,6-7,10-11,13-17H,3,5,12H2,(H,26,31)(H,27,28);1,3-4,6,9-10,12-17,30H,2,5,11H2,(H,25,31)(H,26,27);1,3-5,8-9,11-12,14-18,30H,2,10,13H2,(H,26,31).
What are the key properties of 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide?
3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide has a molecular weight of 3428.66 g/mol, XLogP of 30.10, 48 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-chlorophenyl)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;3-[2-(3-hydroxyphenyl)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-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;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide is sourced from PubChem (CID 160714872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).