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

C164H181N39O14 — CID 157309391

IUPACN-[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
SMILESCC(=O)n1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21.COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)on1.Cc1ccc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1.Cc1ncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H25N5O2.C22H23N5O.C21H22N6O.C21H24N4O2.C20H23N5O2.C20H22N4O2.2C18H21N5O2/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;28-22(21-13-20(26-27-21)16-7-2-1-3-8-16)24-12-6-11-23-14-17-15-25-19-10-5-4-9-18(17)19;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;1-27-17-10-15(13-22-14-17)12-21-8-5-9-23-20(26)19-11-18(24-25-19)16-6-3-2-4-7-16;25-19-10-5-4-9-16(19)14-21-11-6-12-22-20(26)18-13-17(23-24-18)15-7-2-1-3-8-15;1-13-21-12-15(25-13)11-19-8-5-9-20-18(24)17-10-16(22-23-17)14-6-3-2-4-7-14;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/h2-6,8-11,14,16,25H,7,12-13,15H2,1H3,(H,26,31)(H,27,28);1-5,7-10,13,15,23,25H,6,11-12,14H2,(H,24,28)(H,26,27);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);2-4,6-7,10-11,13-14,21H,5,8-9,12H2,1H3,(H,23,26)(H,24,25);1-5,7-10,13,21,25H,6,11-12,14H2,(H,22,26)(H,23,24);2-4,6-7,10,12,19H,5,8-9,11H2,1H3,(H,20,24)(H,22,23);2-4,6-7,10-11,19H,5,8-9,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyBCVZHZVRDICJBX-UHFFFAOYSA-N
MW2922.51 g/mol
LogP22.58
Rot. Bonds65

About 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

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 (PubChem CID 157309391) has the molecular formula C164H181N39O14 and a molecular weight of 2922.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157309391
Molecular FormulaC164H181N39O14
Molecular Weight2922.51 g/mol
Exact Mass2920.47
IUPAC NameN-[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
SMILESCC(=O)n1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21.COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)on1.Cc1ccc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1.Cc1ncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H25N5O2.C22H23N5O.C21H22N6O.C21H24N4O2.C20H23N5O2.C20H22N4O2.2C18H21N5O2/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;28-22(21-13-20(26-27-21)16-7-2-1-3-8-16)24-12-6-11-23-14-17-15-25-19-10-5-4-9-18(17)19;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;1-27-17-10-15(13-22-14-17)12-21-8-5-9-23-20(26)19-11-18(24-25-19)16-6-3-2-4-7-16;25-19-10-5-4-9-16(19)14-21-11-6-12-22-20(26)18-13-17(23-24-18)15-7-2-1-3-8-15;1-13-21-12-15(25-13)11-19-8-5-9-20-18(24)17-10-16(22-23-17)14-6-3-2-4-7-14;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/h2-6,8-11,14,16,25H,7,12-13,15H2,1H3,(H,26,31)(H,27,28);1-5,7-10,13,15,23,25H,6,11-12,14H2,(H,24,28)(H,26,27);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);2-4,6-7,10-11,13-14,21H,5,8-9,12H2,1H3,(H,23,26)(H,24,25);1-5,7-10,13,21,25H,6,11-12,14H2,(H,22,26)(H,23,24);2-4,6-7,10,12,19H,5,8-9,11H2,1H3,(H,20,24)(H,22,23);2-4,6-7,10-11,19H,5,8-9,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyBCVZHZVRDICJBX-UHFFFAOYSA-N
XLogP22.58
TPSA739.59 Ų
H-Bond Donors28
H-Bond Acceptors35
Rotatable Bonds65
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002922.51
LogP ≤ 522.58
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1035

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-[(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 with MolForge

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Related Compounds

US11767323, Example 26
CID 169429052
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
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1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethenyl]-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;[2-[(3-methylphenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-methylphenyl)methanone;[2-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-methylphenyl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3H-pyrrol-4-yl)methanone;2-(phenoxymethyl)-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethenyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
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5-(6-isocyano-1H-benzimidazol-4-yl)-2-methylphenol;5-(5-isocyano-1,3-benzoxazol-7-yl)-2-methylphenol;5-(6-isocyano-1,3-benzoxazol-4-yl)-2-methylphenol;5-(6-isocyanoimidazo[1,2-a]pyridin-8-yl)-2-methylphenol;5-(5-isocyano-3-methyl-2H-indazol-7-yl)-2-methylphenol;5-[5-isocyano-2-(trifluoromethyl)-1,3-benzoxazol-7-yl]-2-methylphenol;5-[6-isocyano-2-(trifluoromethyl)-1,3-benzoxazol-4-yl]-2-methylphenol
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4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]imidazol-4-yl]methyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
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1-benzofuran-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-methylpyrazin-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyrazin-2-ylmethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1H-pyrazolo[4,3-b]pyridin-3-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridin-3-ylmethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
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3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
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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-[(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)n1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21.COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1cc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)on1.Cc1ccc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1.Cc1ncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1ccccc1O)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-[(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?
The InChIKey is BCVZHZVRDICJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C22H23N5O.C21H22N6O.C21H24N4O2.C20H23N5O2.C20H22N4O2.2C18H21N5O2/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;28-22(21-13-20(26-27-21)16-7-2-1-3-8-16)24-12-6-11-23-14-17-15-25-19-10-5-4-9-18(17)19;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;1-27-17-10-15(13-22-14-17)12-21-8-5-9-23-20(26)19-11-18(24-25-19)16-6-3-2-4-7-16;25-19-10-5-4-9-16(19)14-21-11-6-12-22-20(26)18-13-17(23-24-18)15-7-2-1-3-8-15;1-13-21-12-15(25-13)11-19-8-5-9-20-18(24)17-10-16(22-23-17)14-6-3-2-4-7-14;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/h2-6,8-11,14,16,25H,7,12-13,15H2,1H3,(H,26,31)(H,27,28);1-5,7-10,13,15,23,25H,6,11-12,14H2,(H,24,28)(H,26,27);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);2-4,6-7,10-11,13-14,21H,5,8-9,12H2,1H3,(H,23,26)(H,24,25);1-5,7-10,13,21,25H,6,11-12,14H2,(H,22,26)(H,23,24);2-4,6-7,10,12,19H,5,8-9,11H2,1H3,(H,20,24)(H,22,23);2-4,6-7,10-11,19H,5,8-9,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 2922.51 g/mol, XLogP of 22.58, 65 rotatable bonds, 28 hydrogen bond donors, and 35 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-[(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 is sourced from PubChem (CID 157309391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).