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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C116H132N26O15S5 — CID 159663787

IUPACN-[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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESC.COc1cccc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cncc(OC)c2)c1.Cc1ccc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2ccc(O)c(O)c2)cc1O.Cc1coc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cc(C)no2)c1.Cc1ncc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cnc(C)o2)o1.O=C(NCCCN(CC1=CCN=C1)Cc1cnoc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C26H29N5O3S.C26H28N4O4S.C22H25N5O3S.C21H24N6O3S.C20H22N6O2S.CH4/c1-33-21-7-3-6-19(12-21)17-31(18-20-13-22(34-2)16-27-15-20)10-5-9-28-26(32)24-14-23(29-30-24)25-8-4-11-35-25;1-17-5-6-18(12-23(17)32)15-30(16-19-7-8-22(31)24(33)13-19)10-3-9-27-26(34)21-14-20(28-29-21)25-4-2-11-35-25;1-15-9-17(29-14-15)12-27(13-18-10-16(2)26-30-18)7-4-6-23-22(28)20-11-19(24-25-20)21-5-3-8-31-21;1-14-23-10-16(29-14)12-27(13-17-11-24-15(2)30-17)7-4-6-22-21(28)19-9-18(25-26-19)20-5-3-8-31-20;27-20(18-9-17(24-25-18)19-3-1-8-29-19)22-5-2-7-26(12-15-4-6-21-10-15)13-16-11-23-28-14-16;/h3-4,6-8,11-16H,5,9-10,17-18H2,1-2H3,(H,28,32)(H,29,30);2,4-8,11-14,31-33H,3,9-10,15-16H2,1H3,(H,27,34)(H,28,29);3,5,8-11,14H,4,6-7,12-13H2,1-2H3,(H,23,28)(H,24,25);3,5,8-11H,4,6-7,12-13H2,1-2H3,(H,22,28)(H,25,26);1,3-4,8-11,14H,2,5-7,12-13H2,(H,22,27)(H,24,25);1H4
InChIKeyMTDKTYMXRWECME-UHFFFAOYSA-N
MW2290.83 g/mol
LogP19.87
Rot. Bonds52

About 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 159663787) has the molecular formula C116H132N26O15S5 and a molecular weight of 2290.83 g/mol. Its IUPAC name is 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID159663787
Molecular FormulaC116H132N26O15S5
Molecular Weight2290.83 g/mol
Exact Mass2288.90
IUPAC NameN-[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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESC.COc1cccc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cncc(OC)c2)c1.Cc1ccc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2ccc(O)c(O)c2)cc1O.Cc1coc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cc(C)no2)c1.Cc1ncc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cnc(C)o2)o1.O=C(NCCCN(CC1=CCN=C1)Cc1cnoc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C26H29N5O3S.C26H28N4O4S.C22H25N5O3S.C21H24N6O3S.C20H22N6O2S.CH4/c1-33-21-7-3-6-19(12-21)17-31(18-20-13-22(34-2)16-27-15-20)10-5-9-28-26(32)24-14-23(29-30-24)25-8-4-11-35-25;1-17-5-6-18(12-23(17)32)15-30(16-19-7-8-22(31)24(33)13-19)10-3-9-27-26(34)21-14-20(28-29-21)25-4-2-11-35-25;1-15-9-17(29-14-15)12-27(13-18-10-16(2)26-30-18)7-4-6-23-22(28)20-11-19(24-25-20)21-5-3-8-31-21;1-14-23-10-16(29-14)12-27(13-17-11-24-15(2)30-17)7-4-6-22-21(28)19-9-18(25-26-19)20-5-3-8-31-20;27-20(18-9-17(24-25-18)19-3-1-8-29-19)22-5-2-7-26(12-15-4-6-21-10-15)13-16-11-23-28-14-16;/h3-4,6-8,11-16H,5,9-10,17-18H2,1-2H3,(H,28,32)(H,29,30);2,4-8,11-14,31-33H,3,9-10,15-16H2,1H3,(H,27,34)(H,28,29);3,5,8-11,14H,4,6-7,12-13H2,1-2H3,(H,23,28)(H,24,25);3,5,8-11H,4,6-7,12-13H2,1-2H3,(H,22,28)(H,25,26);1,3-4,8-11,14H,2,5-7,12-13H2,(H,22,27)(H,24,25);1H4
InChIKeyMTDKTYMXRWECME-UHFFFAOYSA-N
XLogP19.87
TPSA526.76 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds52
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002290.83
LogP ≤ 519.87
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'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]-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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

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-[2-(3-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide;N-[2-(3-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide;N-[2-(3-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide;N-[1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 159508212
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 159512223
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 161513386
N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]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-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]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
CID 161651259
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
CID 161663208
2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 172956143

Frequently Asked Questions

What is the IUPAC name of 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 159663787) is 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is C.COc1cccc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cncc(OC)c2)c1.Cc1ccc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2ccc(O)c(O)c2)cc1O.Cc1coc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cc(C)no2)c1.Cc1ncc(CN(CCCNC(=O)c2cc(-c3cccs3)[nH]n2)Cc2cnc(C)o2)o1.O=C(NCCCN(CC1=CCN=C1)Cc1cnoc1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MTDKTYMXRWECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S.C26H28N4O4S.C22H25N5O3S.C21H24N6O3S.C20H22N6O2S.CH4/c1-33-21-7-3-6-19(12-21)17-31(18-20-13-22(34-2)16-27-15-20)10-5-9-28-26(32)24-14-23(29-30-24)25-8-4-11-35-25;1-17-5-6-18(12-23(17)32)15-30(16-19-7-8-22(31)24(33)13-19)10-3-9-27-26(34)21-14-20(28-29-21)25-4-2-11-35-25;1-15-9-17(29-14-15)12-27(13-18-10-16(2)26-30-18)7-4-6-23-22(28)20-11-19(24-25-20)21-5-3-8-31-21;1-14-23-10-16(29-14)12-27(13-17-11-24-15(2)30-17)7-4-6-22-21(28)19-9-18(25-26-19)20-5-3-8-31-20;27-20(18-9-17(24-25-18)19-3-1-8-29-19)22-5-2-7-26(12-15-4-6-21-10-15)13-16-11-23-28-14-16;/h3-4,6-8,11-16H,5,9-10,17-18H2,1-2H3,(H,28,32)(H,29,30);2,4-8,11-14,31-33H,3,9-10,15-16H2,1H3,(H,27,34)(H,28,29);3,5,8-11,14H,4,6-7,12-13H2,1-2H3,(H,23,28)(H,24,25);3,5,8-11H,4,6-7,12-13H2,1-2H3,(H,22,28)(H,25,26);1,3-4,8-11,14H,2,5-7,12-13H2,(H,22,27)(H,24,25);1H4.
What are the key properties of 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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 2290.83 g/mol, XLogP of 19.87, 52 rotatable bonds, 13 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]-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;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 159663787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).