N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide

C146H161N37O14 — CID 159661707

IUPACN-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)n1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21.Cc1cc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cc(C)no2)on1.Cc1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)on1.Cc1ccc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1.O=C(NCCCN(Cc1ccno1)Cc1ccno1)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCC1=CCN=C1)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H25N5O2.C23H26N6O3.C21H22N6O3.C21H22N6O.C21H24N4O2.C18H21N5O2.C18H21N5O/c1-17(30)29-16-19(20-10-5-6-11-23(20)29)15-25-12-7-13-26-24(31)22-14-21(27-28-22)18-8-3-2-4-9-18;1-16-11-19(31-27-16)14-29(15-20-12-17(2)28-32-20)10-6-9-24-23(30)22-13-21(25-26-22)18-7-4-3-5-8-18;28-21(20-13-19(25-26-20)16-5-2-1-3-6-16)22-9-4-12-27(14-17-7-10-23-29-17)15-18-8-11-24-30-18;28-21(19-12-18(26-27-19)15-6-2-1-3-7-15)24-11-5-9-22-13-16-14-25-20-17(16)8-4-10-23-20;1-15-8-9-17(20(26)12-15)14-22-10-5-11-23-21(27)19-13-18(24-25-19)16-6-3-2-4-7-16;1-13-10-15(25-23-13)12-19-8-5-9-20-18(24)17-11-16(21-22-17)14-6-3-2-4-7-14;24-18(21-9-4-8-19-12-14-7-10-20-13-14)17-11-16(22-23-17)15-5-2-1-3-6-15/h2-6,8-11,14,16,25H,7,12-13,15H2,1H3,(H,26,31)(H,27,28);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,30)(H,25,26);1-3,5-8,10-11,13H,4,9,12,14-15H2,(H,22,28)(H,25,26);1-4,6-8,10,12,14,22H,5,9,11,13H2,(H,23,25)(H,24,28)(H,26,27);2-4,6-9,12-13,22,26H,5,10-11,14H2,1H3,(H,23,27)(H,24,25);2-4,6-7,10-11,19H,5,8-9,12H2,1H3,(H,20,24)(H,21,22);1-3,5-7,11,13,19H,4,8-10,12H2,(H,21,24)(H,22,23)
InChIKeyMSWVZPWQNCQPPC-UHFFFAOYSA-N
MW2658.14 g/mol
LogP19.91
Rot. Bonds60

About N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide

N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 159661707) has the molecular formula C146H161N37O14 and a molecular weight of 2658.14 g/mol. Its IUPAC name is N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
PubChem CID159661707
Molecular FormulaC146H161N37O14
Molecular Weight2658.14 g/mol
Exact Mass2656.30
IUPAC NameN-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)n1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21.Cc1cc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cc(C)no2)on1.Cc1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)on1.Cc1ccc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1.O=C(NCCCN(Cc1ccno1)Cc1ccno1)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCC1=CCN=C1)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H25N5O2.C23H26N6O3.C21H22N6O3.C21H22N6O.C21H24N4O2.C18H21N5O2.C18H21N5O/c1-17(30)29-16-19(20-10-5-6-11-23(20)29)15-25-12-7-13-26-24(31)22-14-21(27-28-22)18-8-3-2-4-9-18;1-16-11-19(31-27-16)14-29(15-20-12-17(2)28-32-20)10-6-9-24-23(30)22-13-21(25-26-22)18-7-4-3-5-8-18;28-21(20-13-19(25-26-20)16-5-2-1-3-6-16)22-9-4-12-27(14-17-7-10-23-29-17)15-18-8-11-24-30-18;28-21(19-12-18(26-27-19)15-6-2-1-3-7-15)24-11-5-9-22-13-16-14-25-20-17(16)8-4-10-23-20;1-15-8-9-17(20(26)12-15)14-22-10-5-11-23-21(27)19-13-18(24-25-19)16-6-3-2-4-7-16;1-13-10-15(25-23-13)12-19-8-5-9-20-18(24)17-11-16(21-22-17)14-6-3-2-4-7-14;24-18(21-9-4-8-19-12-14-7-10-20-13-14)17-11-16(22-23-17)15-5-2-1-3-6-15/h2-6,8-11,14,16,25H,7,12-13,15H2,1H3,(H,26,31)(H,27,28);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,30)(H,25,26);1-3,5-8,10-11,13H,4,9,12,14-15H2,(H,22,28)(H,25,26);1-4,6-8,10,12,14,22H,5,9,11,13H2,(H,23,25)(H,24,28)(H,26,27);2-4,6-9,12-13,22,26H,5,10-11,14H2,1H3,(H,23,27)(H,24,25);2-4,6-7,10-11,19H,5,8-9,12H2,1H3,(H,20,24)(H,21,22);1-3,5-7,11,13,19H,4,8-10,12H2,(H,21,24)(H,22,23)
InChIKeyMSWVZPWQNCQPPC-UHFFFAOYSA-N
XLogP19.91
TPSA684.51 Ų
H-Bond Donors21
H-Bond Acceptors36
Rotatable Bonds60
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002658.14
LogP ≤ 519.91
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

5-tert-butyl-N-[[4-[2-[1-[[7-[4-[[(3-tert-butyl-1,2-oxazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 163773934
5-fluoro-N-[[2-fluoro-4-[2-[1-[[7-[3-fluoro-4-[[(5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-benzoxazol-3-amine
CID 171803391
5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 145061613
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 157309391
3-chloro-1-(2-methylpropyl)-5-propan-2-ylpyridin-2-one;2-fluoro-1-isocyano-4-propan-2-ylbenzene;3-methyl-1-(2-methylpropyl)-5-propan-2-ylpyridin-2-one;5-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 157699466
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157802222
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-benzyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(3H-benzimidazol-5-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 157816922
4-(2,3-difluorophenyl)-5-(1H-indol-3-yl)-1,2-oxazole;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-ethyl-2H-pyrazolo[3,4-b]pyridin-6-amine;4-(2,3-difluorophenyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 157935320
2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
CID 158147077
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 158367875
2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;2-ethyl-N-[3-[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylimidazole-2-carboxamide;N-[3-[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 158598951

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide (CID 159661707) is N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide is CC(=O)n1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21.Cc1cc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cc(C)no2)on1.Cc1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)on1.Cc1ccc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1.O=C(NCCCN(Cc1ccno1)Cc1ccno1)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCC1=CCN=C1)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MSWVZPWQNCQPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C23H26N6O3.C21H22N6O3.C21H22N6O.C21H24N4O2.C18H21N5O2.C18H21N5O/c1-17(30)29-16-19(20-10-5-6-11-23(20)29)15-25-12-7-13-26-24(31)22-14-21(27-28-22)18-8-3-2-4-9-18;1-16-11-19(31-27-16)14-29(15-20-12-17(2)28-32-20)10-6-9-24-23(30)22-13-21(25-26-22)18-7-4-3-5-8-18;28-21(20-13-19(25-26-20)16-5-2-1-3-6-16)22-9-4-12-27(14-17-7-10-23-29-17)15-18-8-11-24-30-18;28-21(19-12-18(26-27-19)15-6-2-1-3-7-15)24-11-5-9-22-13-16-14-25-20-17(16)8-4-10-23-20;1-15-8-9-17(20(26)12-15)14-22-10-5-11-23-21(27)19-13-18(24-25-19)16-6-3-2-4-7-16;1-13-10-15(25-23-13)12-19-8-5-9-20-18(24)17-11-16(21-22-17)14-6-3-2-4-7-14;24-18(21-9-4-8-19-12-14-7-10-20-13-14)17-11-16(22-23-17)15-5-2-1-3-6-15/h2-6,8-11,14,16,25H,7,12-13,15H2,1H3,(H,26,31)(H,27,28);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,30)(H,25,26);1-3,5-8,10-11,13H,4,9,12,14-15H2,(H,22,28)(H,25,26);1-4,6-8,10,12,14,22H,5,9,11,13H2,(H,23,25)(H,24,28)(H,26,27);2-4,6-9,12-13,22,26H,5,10-11,14H2,1H3,(H,23,27)(H,24,25);2-4,6-7,10-11,19H,5,8-9,12H2,1H3,(H,20,24)(H,21,22);1-3,5-7,11,13,19H,4,8-10,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide?
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 2658.14 g/mol, XLogP of 19.91, 60 rotatable bonds, 21 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[bis(1,2-oxazol-5-ylmethyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 159661707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).