N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

C71H68F12N14O5S5 — CID 161168443

IUPACN-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCC([C@@H](O)c1ccccc1)N(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1cc(C)cc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1.Cn1nc(-c2ccc(C(=O)NCCCn3ccnc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cccs3)s2)cc1C(F)(F)F
InChIInChI=1S/C20H20F3N3O2S.C19H18F3N3OS.C16H16F3N5OS.C16H14F3N3OS2/c1-12(18(27)13-7-5-4-6-8-13)25(2)19(28)16-10-9-15(29-16)14-11-17(20(21,22)23)26(3)24-14;1-11-6-12(2)8-13(7-11)10-23-18(26)16-5-4-15(27-16)14-9-17(19(20,21)22)25(3)24-14;1-23-14(16(17,18)19)9-11(22-23)12-3-4-13(26-12)15(25)21-5-2-7-24-8-6-20-10-24;1-22-14(16(17,18)19)9-11(21-22)12-4-5-13(25-12)15(23)20-7-6-10-3-2-8-24-10/h4-12,18,27H,1-3H3;4-9H,10H2,1-3H3,(H,23,26);3-4,6,8-10H,2,5,7H2,1H3,(H,21,25);2-5,8-9H,6-7H2,1H3,(H,20,23)/t12?,18-;;;/m1.../s1
InChIKeyUQWBYEPHLIDHPJ-RZJDVCNDSA-N
MW1585.73 g/mol
LogP16.46
Rot. Bonds20

About N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 161168443) has the molecular formula C71H68F12N14O5S5 and a molecular weight of 1585.73 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID161168443
Molecular FormulaC71H68F12N14O5S5
Molecular Weight1585.73 g/mol
Exact Mass1584.39
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCC([C@@H](O)c1ccccc1)N(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1cc(C)cc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1.Cn1nc(-c2ccc(C(=O)NCCCn3ccnc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cccs3)s2)cc1C(F)(F)F
InChIInChI=1S/C20H20F3N3O2S.C19H18F3N3OS.C16H16F3N5OS.C16H14F3N3OS2/c1-12(18(27)13-7-5-4-6-8-13)25(2)19(28)16-10-9-15(29-16)14-11-17(20(21,22)23)26(3)24-14;1-11-6-12(2)8-13(7-11)10-23-18(26)16-5-4-15(27-16)14-9-17(19(20,21)22)25(3)24-14;1-23-14(16(17,18)19)9-11(22-23)12-3-4-13(26-12)15(25)21-5-2-7-24-8-6-20-10-24;1-22-14(16(17,18)19)9-11(21-22)12-4-5-13(25-12)15(23)20-7-6-10-3-2-8-24-10/h4-12,18,27H,1-3H3;4-9H,10H2,1-3H3,(H,23,26);3-4,6,8-10H,2,5,7H2,1H3,(H,21,25);2-5,8-9H,6-7H2,1H3,(H,20,23)/t12?,18-;;;/m1.../s1
InChIKeyUQWBYEPHLIDHPJ-RZJDVCNDSA-N
XLogP16.46
TPSA216.94 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.73
LogP ≤ 516.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 159103548
N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopenta-1,3-diene-1-carboxamide
CID 159228723
N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-isocyano-1-propan-2-ylpyrrole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159583503
N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 160378062
N-benzyl-N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propan-2-ylthiophene-2-carboxamide;N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 160504218
2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 161644067
N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 161746138
N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 162157299

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 161168443) is N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is CC([C@@H](O)c1ccccc1)N(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1cc(C)cc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1.Cn1nc(-c2ccc(C(=O)NCCCn3ccnc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cccs3)s2)cc1C(F)(F)F.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is UQWBYEPHLIDHPJ-RZJDVCNDSA-N. The full InChI is InChI=1S/C20H20F3N3O2S.C19H18F3N3OS.C16H16F3N5OS.C16H14F3N3OS2/c1-12(18(27)13-7-5-4-6-8-13)25(2)19(28)16-10-9-15(29-16)14-11-17(20(21,22)23)26(3)24-14;1-11-6-12(2)8-13(7-11)10-23-18(26)16-5-4-15(27-16)14-9-17(19(20,21)22)25(3)24-14;1-23-14(16(17,18)19)9-11(22-23)12-3-4-13(26-12)15(25)21-5-2-7-24-8-6-20-10-24;1-22-14(16(17,18)19)9-11(21-22)12-4-5-13(25-12)15(23)20-7-6-10-3-2-8-24-10/h4-12,18,27H,1-3H3;4-9H,10H2,1-3H3,(H,23,26);3-4,6,8-10H,2,5,7H2,1H3,(H,21,25);2-5,8-9H,6-7H2,1H3,(H,20,23)/t12?,18-;;;/m1.../s1.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 1585.73 g/mol, XLogP of 16.46, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 161168443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).