N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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

C159H176N34O17 — CID 158193723

IUPACN-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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
SMILESCOc1cccc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cncc(OC)c2)c1.COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1ccc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2ccc(O)c(O)c2)cc1O.Cc1ncc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cnc(C)o2)o1.Cc1ncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C28H31N5O3.C28H30N4O4.C23H26N6O3.C22H23N5O.C20H23N5O2.C20H22N4O2.C18H21N5O2/c1-35-24-11-6-8-21(14-24)19-33(20-22-15-25(36-2)18-29-17-22)13-7-12-30-28(34)27-16-26(31-32-27)23-9-4-3-5-10-23;1-19-8-9-20(14-26(19)34)17-32(18-21-10-11-25(33)27(35)15-21)13-5-12-29-28(36)24-16-23(30-31-24)22-6-3-2-4-7-22;1-16-25-12-19(31-16)14-29(15-20-13-26-17(2)32-20)10-6-9-24-23(30)22-11-21(27-28-22)18-7-4-3-5-8-18;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;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/h3-6,8-11,14-18H,7,12-13,19-20H2,1-2H3,(H,30,34)(H,31,32);2-4,6-11,14-16,33-35H,5,12-13,17-18H2,1H3,(H,29,36)(H,30,31);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,30)(H,27,28);1-5,7-10,13,15,23,25H,6,11-12,14H2,(H,24,28)(H,26,27);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)
InChIKeyGABUBFTWYGCJJS-UHFFFAOYSA-N
MW2835.38 g/mol
LogP22.96
Rot. Bonds65

About N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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 (PubChem CID 158193723) has the molecular formula C159H176N34O17 and a molecular weight of 2835.38 g/mol. Its IUPAC name is N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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.

Molecular Properties

Compound NameN-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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
PubChem CID158193723
Molecular FormulaC159H176N34O17
Molecular Weight2835.38 g/mol
Exact Mass2833.40
IUPAC NameN-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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
SMILESCOc1cccc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cncc(OC)c2)c1.COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1ccc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2ccc(O)c(O)c2)cc1O.Cc1ncc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cnc(C)o2)o1.Cc1ncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C28H31N5O3.C28H30N4O4.C23H26N6O3.C22H23N5O.C20H23N5O2.C20H22N4O2.C18H21N5O2/c1-35-24-11-6-8-21(14-24)19-33(20-22-15-25(36-2)18-29-17-22)13-7-12-30-28(34)27-16-26(31-32-27)23-9-4-3-5-10-23;1-19-8-9-20(14-26(19)34)17-32(18-21-10-11-25(33)27(35)15-21)13-5-12-29-28(36)24-16-23(30-31-24)22-6-3-2-4-7-22;1-16-25-12-19(31-16)14-29(15-20-13-26-17(2)32-20)10-6-9-24-23(30)22-11-21(27-28-22)18-7-4-3-5-8-18;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;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/h3-6,8-11,14-18H,7,12-13,19-20H2,1-2H3,(H,30,34)(H,31,32);2-4,6-11,14-16,33-35H,5,12-13,17-18H2,1H3,(H,29,36)(H,30,31);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,30)(H,27,28);1-5,7-10,13,15,23,25H,6,11-12,14H2,(H,24,28)(H,26,27);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)
InChIKeyGABUBFTWYGCJJS-UHFFFAOYSA-N
XLogP22.96
TPSA690.57 Ų
H-Bond Donors23
H-Bond Acceptors36
Rotatable Bonds65
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002835.38
LogP ≤ 522.96
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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 with MolForge

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Related Compounds

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CID 124220583
N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
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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
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bis(8-(1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol);5-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-1,3-dihydroindol-2-one;bis(5-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-1-methyl-3H-indol-2-one);8-(1H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1H-indol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(2-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
CID 157695607
3-[5-[3-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol;4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;4-[5-(4-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol;2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole;2-(1H-indol-3-ylmethyl)-4-(2-methoxyphenyl)-5-phenyl-1,3-oxazole
CID 157951399
2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 158166642
N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 158182069
N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide
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N-(cyanomethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-prop-2-enyl-2H-indazole-5-carboxamide
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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;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
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CID 160063106

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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?
The IUPAC name of N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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 (CID 158193723) is N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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.
What is the SMILES notation for N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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?
The canonical SMILES for N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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 is COc1cccc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cncc(OC)c2)c1.COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1ccc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2ccc(O)c(O)c2)cc1O.Cc1ncc(CN(CCCNC(=O)c2cc(-c3ccccc3)n[nH]2)Cc2cnc(C)o2)o1.Cc1ncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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?
The InChIKey is GABUBFTWYGCJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3.C28H30N4O4.C23H26N6O3.C22H23N5O.C20H23N5O2.C20H22N4O2.C18H21N5O2/c1-35-24-11-6-8-21(14-24)19-33(20-22-15-25(36-2)18-29-17-22)13-7-12-30-28(34)27-16-26(31-32-27)23-9-4-3-5-10-23;1-19-8-9-20(14-26(19)34)17-32(18-21-10-11-25(33)27(35)15-21)13-5-12-29-28(36)24-16-23(30-31-24)22-6-3-2-4-7-22;1-16-25-12-19(31-16)14-29(15-20-13-26-17(2)32-20)10-6-9-24-23(30)22-11-21(27-28-22)18-7-4-3-5-8-18;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;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/h3-6,8-11,14-18H,7,12-13,19-20H2,1-2H3,(H,30,34)(H,31,32);2-4,6-11,14-16,33-35H,5,12-13,17-18H2,1H3,(H,29,36)(H,30,31);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,30)(H,27,28);1-5,7-10,13,15,23,25H,6,11-12,14H2,(H,24,28)(H,26,27);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).
What are the key properties of N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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 has a molecular weight of 2835.38 g/mol, XLogP of 22.96, 65 rotatable bonds, 23 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]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 is sourced from PubChem (CID 158193723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).