N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide

C243H213N53O11 — CID 161283637

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide
SMILESCC(CNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1)n1cncn1.Cc1cc(C)n(CCNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cc1nc(C)n(CCNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cc1nn(-c2ccc(C(=O)NCCC3=CCC=N3)cc2C#Cc2ccccc2)c(C)c1C.Cc1nn(-c2ccc(C(=O)NCCc3cnccn3)cc2C#Cc2ccccc2)c(C)c1C.Cc1noc(CNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cn1nnnc1CCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCCc1ccccn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCc1cnccn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCn1cncn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1
InChIInChI=1S/C27H25N5O.C27H26N4O.C26H22N4O.C25H23N5O.C24H22N6O.C24H19N5O.C23H21N7O.C23H20N6O.C22H18N6O.C22H17N5O2/c1-19-20(2)31-32(21(19)3)26-12-11-24(17-23(26)10-9-22-7-5-4-6-8-22)27(33)30-14-13-25-18-28-15-16-29-25;1-19-20(2)30-31(21(19)3)26-14-13-24(27(32)29-17-15-25-10-7-16-28-25)18-23(26)12-11-22-8-5-4-6-9-22;31-26(28-17-6-11-24-10-4-5-16-27-24)23-14-15-25(30-19-7-18-29-30)22(20-23)13-12-21-8-2-1-3-9-21;1-19-17-20(2)29(28-19)16-14-26-25(31)23-11-12-24(30-15-6-13-27-30)22(18-23)10-9-21-7-4-3-5-8-21;1-18-27-19(2)29(28-18)16-14-25-24(31)22-11-12-23(30-15-6-13-26-30)21(17-22)10-9-20-7-4-3-5-8-20;30-24(27-13-11-22-18-25-14-15-26-22)21-9-10-23(29-16-4-12-28-29)20(17-21)8-7-19-5-2-1-3-6-19;1-29-22(26-27-28-29)9-5-14-24-23(31)20-12-13-21(30-16-6-15-25-30)19(17-20)11-10-18-7-3-2-4-8-18;1-18(29-17-24-16-27-29)15-25-23(30)21-10-11-22(28-13-5-12-26-28)20(14-21)9-8-19-6-3-2-4-7-19;29-22(24-12-14-27-17-23-16-26-27)20-9-10-21(28-13-4-11-25-28)19(15-20)8-7-18-5-2-1-3-6-18;1-16-25-21(29-26-16)15-23-22(28)19-10-11-20(27-13-5-12-24-27)18(14-19)9-8-17-6-3-2-4-7-17/h4-8,11-12,15-18H,13-14H2,1-3H3,(H,30,33);4-6,8-10,13-14,16,18H,7,15,17H2,1-3H3,(H,29,32);1-5,7-10,14-16,18-20H,6,11,17H2,(H,28,31);3-8,11-13,15,17-18H,14,16H2,1-2H3,(H,26,31);3-8,11-13,15,17H,14,16H2,1-2H3,(H,25,31);1-6,9-10,12,14-18H,11,13H2,(H,27,30);2-4,6-8,12-13,15-17H,5,9,14H2,1H3,(H,24,31);2-7,10-14,16-18H,15H2,1H3,(H,25,30);1-6,9-11,13,15-17H,12,14H2,(H,24,29);2-7,10-14H,15H2,1H3,(H,23,28)
InChIKeyVFKRGIDVDXGAFJ-UHFFFAOYSA-N
MW4051.74 g/mol
LogP32.33
Rot. Bonds51

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide (PubChem CID 161283637) has the molecular formula C243H213N53O11 and a molecular weight of 4051.74 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide
PubChem CID161283637
Molecular FormulaC243H213N53O11
Molecular Weight4051.74 g/mol
Exact Mass4048.77
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide
SMILESCC(CNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1)n1cncn1.Cc1cc(C)n(CCNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cc1nc(C)n(CCNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cc1nn(-c2ccc(C(=O)NCCC3=CCC=N3)cc2C#Cc2ccccc2)c(C)c1C.Cc1nn(-c2ccc(C(=O)NCCc3cnccn3)cc2C#Cc2ccccc2)c(C)c1C.Cc1noc(CNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cn1nnnc1CCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCCc1ccccn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCc1cnccn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCn1cncn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1
InChIInChI=1S/C27H25N5O.C27H26N4O.C26H22N4O.C25H23N5O.C24H22N6O.C24H19N5O.C23H21N7O.C23H20N6O.C22H18N6O.C22H17N5O2/c1-19-20(2)31-32(21(19)3)26-12-11-24(17-23(26)10-9-22-7-5-4-6-8-22)27(33)30-14-13-25-18-28-15-16-29-25;1-19-20(2)30-31(21(19)3)26-14-13-24(27(32)29-17-15-25-10-7-16-28-25)18-23(26)12-11-22-8-5-4-6-9-22;31-26(28-17-6-11-24-10-4-5-16-27-24)23-14-15-25(30-19-7-18-29-30)22(20-23)13-12-21-8-2-1-3-9-21;1-19-17-20(2)29(28-19)16-14-26-25(31)23-11-12-24(30-15-6-13-27-30)22(18-23)10-9-21-7-4-3-5-8-21;1-18-27-19(2)29(28-18)16-14-25-24(31)22-11-12-23(30-15-6-13-26-30)21(17-22)10-9-20-7-4-3-5-8-20;30-24(27-13-11-22-18-25-14-15-26-22)21-9-10-23(29-16-4-12-28-29)20(17-21)8-7-19-5-2-1-3-6-19;1-29-22(26-27-28-29)9-5-14-24-23(31)20-12-13-21(30-16-6-15-25-30)19(17-20)11-10-18-7-3-2-4-8-18;1-18(29-17-24-16-27-29)15-25-23(30)21-10-11-22(28-13-5-12-26-28)20(14-21)9-8-19-6-3-2-4-7-19;29-22(24-12-14-27-17-23-16-26-27)20-9-10-21(28-13-4-11-25-28)19(15-20)8-7-18-5-2-1-3-6-18;1-16-25-21(29-26-16)15-23-22(28)19-10-11-20(27-13-5-12-24-27)18(14-19)9-8-17-6-3-2-4-7-17/h4-8,11-12,15-18H,13-14H2,1-3H3,(H,30,33);4-6,8-10,13-14,16,18H,7,15,17H2,1-3H3,(H,29,32);1-5,7-10,14-16,18-20H,6,11,17H2,(H,28,31);3-8,11-13,15,17-18H,14,16H2,1-2H3,(H,26,31);3-8,11-13,15,17H,14,16H2,1-2H3,(H,25,31);1-6,9-10,12,14-18H,11,13H2,(H,27,30);2-4,6-8,12-13,15-17H,5,9,14H2,1H3,(H,24,31);2-7,10-14,16-18H,15H2,1H3,(H,25,30);1-6,9-11,13,15-17H,12,14H2,(H,24,29);2-7,10-14H,15H2,1H3,(H,23,28)
InChIKeyVFKRGIDVDXGAFJ-UHFFFAOYSA-N
XLogP32.33
TPSA738.48 Ų
H-Bond Donors10
H-Bond Acceptors54
Rotatable Bonds51
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004051.74
LogP ≤ 532.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1054

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 118203132
3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 118203200
4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-(2-pyridin-3-ylethynyl)benzamide
CID 118203072
N-[(5Z,7Z)-4-methylidenenona-5,7-dienyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide
CID 154986455
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 56901368
N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)benzamide
CID 46953828
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 125431826
3-[2-[6-(dimethylamino)-2-pyridinyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 118203073
4-pyrazol-1-yl-3-(2-pyridin-3-ylethynyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 46953813
1-methyl-N-(3-pyridin-2-ylpropyl)benzotriazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 154892565
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91796955
N-(2-pyridin-2-ylethyl)-3-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 172851572

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide (CID 161283637) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide is CC(CNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1)n1cncn1.Cc1cc(C)n(CCNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cc1nc(C)n(CCNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cc1nn(-c2ccc(C(=O)NCCC3=CCC=N3)cc2C#Cc2ccccc2)c(C)c1C.Cc1nn(-c2ccc(C(=O)NCCc3cnccn3)cc2C#Cc2ccccc2)c(C)c1C.Cc1noc(CNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)n1.Cn1nnnc1CCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCCc1ccccn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCc1cnccn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCn1cncn1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The InChIKey is VFKRGIDVDXGAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O.C27H26N4O.C26H22N4O.C25H23N5O.C24H22N6O.C24H19N5O.C23H21N7O.C23H20N6O.C22H18N6O.C22H17N5O2/c1-19-20(2)31-32(21(19)3)26-12-11-24(17-23(26)10-9-22-7-5-4-6-8-22)27(33)30-14-13-25-18-28-15-16-29-25;1-19-20(2)30-31(21(19)3)26-14-13-24(27(32)29-17-15-25-10-7-16-28-25)18-23(26)12-11-22-8-5-4-6-9-22;31-26(28-17-6-11-24-10-4-5-16-27-24)23-14-15-25(30-19-7-18-29-30)22(20-23)13-12-21-8-2-1-3-9-21;1-19-17-20(2)29(28-19)16-14-26-25(31)23-11-12-24(30-15-6-13-27-30)22(18-23)10-9-21-7-4-3-5-8-21;1-18-27-19(2)29(28-18)16-14-25-24(31)22-11-12-23(30-15-6-13-26-30)21(17-22)10-9-20-7-4-3-5-8-20;30-24(27-13-11-22-18-25-14-15-26-22)21-9-10-23(29-16-4-12-28-29)20(17-21)8-7-19-5-2-1-3-6-19;1-29-22(26-27-28-29)9-5-14-24-23(31)20-12-13-21(30-16-6-15-25-30)19(17-20)11-10-18-7-3-2-4-8-18;1-18(29-17-24-16-27-29)15-25-23(30)21-10-11-22(28-13-5-12-26-28)20(14-21)9-8-19-6-3-2-4-7-19;29-22(24-12-14-27-17-23-16-26-27)20-9-10-21(28-13-4-11-25-28)19(15-20)8-7-18-5-2-1-3-6-18;1-16-25-21(29-26-16)15-23-22(28)19-10-11-20(27-13-5-12-24-27)18(14-19)9-8-17-6-3-2-4-7-17/h4-8,11-12,15-18H,13-14H2,1-3H3,(H,30,33);4-6,8-10,13-14,16,18H,7,15,17H2,1-3H3,(H,29,32);1-5,7-10,14-16,18-20H,6,11,17H2,(H,28,31);3-8,11-13,15,17-18H,14,16H2,1-2H3,(H,26,31);3-8,11-13,15,17H,14,16H2,1-2H3,(H,25,31);1-6,9-10,12,14-18H,11,13H2,(H,27,30);2-4,6-8,12-13,15-17H,5,9,14H2,1H3,(H,24,31);2-7,10-14,16-18H,15H2,1H3,(H,25,30);1-6,9-11,13,15-17H,12,14H2,(H,24,29);2-7,10-14H,15H2,1H3,(H,23,28).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide has a molecular weight of 4051.74 g/mol, XLogP of 32.33, 51 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-[3-(1-methyltetrazol-5-yl)propyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[2-(3H-pyrrol-5-yl)ethyl]-4-(3,4,5-trimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 161283637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).