N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

C89H99F15N16O9S5 — CID 159559468

IUPACN-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCCN3CCOCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCO)s2)cc1C(F)(F)F
InChIInChI=1S/C21H20F3N3O3S.C21H22F3N3OS.C18H24F3N3OS.C17H21F3N4O2S.C12H12F3N3O2S/c1-3-30-19(28)13-27(12-14-7-5-4-6-8-14)20(29)17-10-9-16(31-17)15-11-18(21(22,23)24)26(2)25-15;1-3-4-12-27(14-15-8-6-5-7-9-15)20(28)18-11-10-17(29-18)16-13-19(21(22,23)24)26(2)25-16;1-11(2)9-24(10-12(3)4)17(25)15-7-6-14(26-15)13-8-16(18(19,20)21)23(5)22-13;1-23-15(17(18,19)20)11-12(22-23)13-3-4-14(27-13)16(25)21-5-2-6-24-7-9-26-10-8-24;1-18-10(12(13,14)15)6-7(17-18)8-2-3-9(21-8)11(20)16-4-5-19/h4-11H,3,12-13H2,1-2H3;5-11,13H,3-4,12,14H2,1-2H3;6-8,11-12H,9-10H2,1-5H3;3-4,11H,2,5-10H2,1H3,(H,21,25);2-3,6,19H,4-5H2,1H3,(H,16,20)
InChIKeyMGKMIVNTTMFGKY-UHFFFAOYSA-N
MW1982.18 g/mol
LogP19.41
Rot. Bonds30

About N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 159559468) has the molecular formula C89H99F15N16O9S5 and a molecular weight of 1982.18 g/mol. Its IUPAC name is N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID159559468
Molecular FormulaC89H99F15N16O9S5
Molecular Weight1982.18 g/mol
Exact Mass1980.61
IUPAC NameN-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCCN3CCOCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCO)s2)cc1C(F)(F)F
InChIInChI=1S/C21H20F3N3O3S.C21H22F3N3OS.C18H24F3N3OS.C17H21F3N4O2S.C12H12F3N3O2S/c1-3-30-19(28)13-27(12-14-7-5-4-6-8-14)20(29)17-10-9-16(31-17)15-11-18(21(22,23)24)26(2)25-15;1-3-4-12-27(14-15-8-6-5-7-9-15)20(28)18-11-10-17(29-18)16-13-19(21(22,23)24)26(2)25-16;1-11(2)9-24(10-12(3)4)17(25)15-7-6-14(26-15)13-8-16(18(19,20)21)23(5)22-13;1-23-15(17(18,19)20)11-12(22-23)13-3-4-14(27-13)16(25)21-5-2-6-24-7-9-26-10-8-24;1-18-10(12(13,14)15)6-7(17-18)8-2-3-9(21-8)11(20)16-4-5-19/h4-11H,3,12-13H2,1-2H3;5-11,13H,3-4,12,14H2,1-2H3;6-8,11-12H,9-10H2,1-5H3;3-4,11H,2,5-10H2,1H3,(H,21,25);2-3,6,19H,4-5H2,1H3,(H,16,20)
InChIKeyMGKMIVNTTMFGKY-UHFFFAOYSA-N
XLogP19.41
TPSA267.23 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001982.18
LogP ≤ 519.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide with MolForge

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Related Compounds

N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 157106294
[4-(Dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(hydroxymethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 157156320
N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide
CID 157178071
2,3-dihydroindol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2,2-dimethoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 157218632
(4-Aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 157347961
5-(2-benzyl-5-methylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-5-(1-methyl-5-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[1-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-5-(1-phenyl-3-propan-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;5-[1-(2-hydroxyethyl)-3-propan-2-ylpyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide
CID 157356875
N,N-dimethyl-5-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide;N,N-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-4-[1-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide;3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine;N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 157427058
N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dicyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 157440498
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;5-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-5-(5-propan-2-yl-1-propylpyrazol-3-yl)thiophene-2-carboxamide;5-(1,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 157544703
N-[2-(4-fluorophenyl)ethyl]-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;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 157566119
N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2,2-dimethoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 157569622
azepan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide;N-(2-cyanoethyl)-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(hydroxymethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 157719293

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 159559468) is N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is CC(C)CN(CC(C)C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCCN3CCOCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCO)s2)cc1C(F)(F)F.
What is the InChIKey of N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is MGKMIVNTTMFGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3S.C21H22F3N3OS.C18H24F3N3OS.C17H21F3N4O2S.C12H12F3N3O2S/c1-3-30-19(28)13-27(12-14-7-5-4-6-8-14)20(29)17-10-9-16(31-17)15-11-18(21(22,23)24)26(2)25-15;1-3-4-12-27(14-15-8-6-5-7-9-15)20(28)18-11-10-17(29-18)16-13-19(21(22,23)24)26(2)25-16;1-11(2)9-24(10-12(3)4)17(25)15-7-6-14(26-15)13-8-16(18(19,20)21)23(5)22-13;1-23-15(17(18,19)20)11-12(22-23)13-3-4-14(27-13)16(25)21-5-2-6-24-7-9-26-10-8-24;1-18-10(12(13,14)15)6-7(17-18)8-2-3-9(21-8)11(20)16-4-5-19/h4-11H,3,12-13H2,1-2H3;5-11,13H,3-4,12,14H2,1-2H3;6-8,11-12H,9-10H2,1-5H3;3-4,11H,2,5-10H2,1H3,(H,21,25);2-3,6,19H,4-5H2,1H3,(H,16,20).
What are the key properties of N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 1982.18 g/mol, XLogP of 19.41, 30 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;ethyl 2-[benzyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]amino]acetate;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 159559468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).