bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

C151H127F25N26O24 — CID 163547226

IUPACbis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.CCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.COc1ccc(C)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccc(F)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H18F3N3O3.C19H15F4N3O3.2C19H17F3N4O3.2C19H16F3N3O3.2C18H14F3N3O3/c1-12-7-8-17(28-2)15(9-12)16-10-13(25-26-16)11-24-19(27)14-5-3-4-6-18(14)29-20(21,22)23;1-28-16-7-6-11(20)8-14(16)15-9-12(25-26-15)10-24-18(27)13-4-2-3-5-17(13)29-19(21,22)23;2*1-2-28-14-9-5-3-7-12(14)17-24-16(25-26-17)11-23-18(27)13-8-4-6-10-15(13)29-19(20,21)22;2*1-11-6-7-16(26)14(8-11)15-9-12(24-25-15)10-23-18(27)13-4-2-3-5-17(13)28-19(20,21)22;2*19-18(20,21)27-16-8-4-2-6-13(16)17(26)22-10-11-9-14(24-23-11)12-5-1-3-7-15(12)25/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26);2-9H,10H2,1H3,(H,24,27)(H,25,26);2*3-10H,2,11H2,1H3,(H,23,27)(H,24,25,26);2*2-9,26H,10H2,1H3,(H,23,27)(H,24,25);2*1-9,25H,10H2,(H,22,26)(H,23,24)
InChIKeyFGBLRLYUYQFQQP-UHFFFAOYSA-N
MW3164.78 g/mol
LogP30.73
Rot. Bonds46

About bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 163547226) has the molecular formula C151H127F25N26O24 and a molecular weight of 3164.78 g/mol. Its IUPAC name is bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Namebis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID163547226
Molecular FormulaC151H127F25N26O24
Molecular Weight3164.78 g/mol
Exact Mass3162.91
IUPAC Namebis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.CCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.COc1ccc(C)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccc(F)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H18F3N3O3.C19H15F4N3O3.2C19H17F3N4O3.2C19H16F3N3O3.2C18H14F3N3O3/c1-12-7-8-17(28-2)15(9-12)16-10-13(25-26-16)11-24-19(27)14-5-3-4-6-18(14)29-20(21,22)23;1-28-16-7-6-11(20)8-14(16)15-9-12(25-26-15)10-24-18(27)13-4-2-3-5-17(13)29-19(21,22)23;2*1-2-28-14-9-5-3-7-12(14)17-24-16(25-26-17)11-23-18(27)13-8-4-6-10-15(13)29-19(20,21)22;2*1-11-6-7-16(26)14(8-11)15-9-12(24-25-15)10-23-18(27)13-4-2-3-5-17(13)28-19(20,21)22;2*19-18(20,21)27-16-8-4-2-6-13(16)17(26)22-10-11-9-14(24-23-11)12-5-1-3-7-15(12)25/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26);2-9H,10H2,1H3,(H,24,27)(H,25,26);2*3-10H,2,11H2,1H3,(H,23,27)(H,24,25,26);2*2-9,26H,10H2,1H3,(H,23,27)(H,24,25);2*1-9,25H,10H2,(H,22,26)(H,23,24)
InChIKeyFGBLRLYUYQFQQP-UHFFFAOYSA-N
XLogP30.73
TPSA679.70 Ų
H-Bond Donors20
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003164.78
LogP ≤ 530.73
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1034

Analyze bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 163547226) is bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is CCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.CCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.COc1ccc(C)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccc(F)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is FGBLRLYUYQFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3.C19H15F4N3O3.2C19H17F3N4O3.2C19H16F3N3O3.2C18H14F3N3O3/c1-12-7-8-17(28-2)15(9-12)16-10-13(25-26-16)11-24-19(27)14-5-3-4-6-18(14)29-20(21,22)23;1-28-16-7-6-11(20)8-14(16)15-9-12(25-26-15)10-24-18(27)13-4-2-3-5-17(13)29-19(21,22)23;2*1-2-28-14-9-5-3-7-12(14)17-24-16(25-26-17)11-23-18(27)13-8-4-6-10-15(13)29-19(20,21)22;2*1-11-6-7-16(26)14(8-11)15-9-12(24-25-15)10-23-18(27)13-4-2-3-5-17(13)28-19(20,21)22;2*19-18(20,21)27-16-8-4-2-6-13(16)17(26)22-10-11-9-14(24-23-11)12-5-1-3-7-15(12)25/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26);2-9H,10H2,1H3,(H,24,27)(H,25,26);2*3-10H,2,11H2,1H3,(H,23,27)(H,24,25,26);2*2-9,26H,10H2,1H3,(H,23,27)(H,24,25);2*1-9,25H,10H2,(H,22,26)(H,23,24).
What are the key properties of bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 3164.78 g/mol, XLogP of 30.73, 46 rotatable bonds, 20 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 163547226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).