N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

C82H88F15N17O7S5 — CID 159552330

IUPACN-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N(CCO)C3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC3CO)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCC#N)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCCN3CCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C19H18F3N3OS.C18H22F3N3O2S.C17H21F3N4OS.C15H16F3N3O2S.C13H11F3N4OS/c1-24(11-10-13-6-4-3-5-7-13)18(26)16-9-8-15(27-16)14-12-17(19(20,21)22)25(2)23-14;1-23-16(18(19,20)21)11-13(22-23)14-7-8-15(27-14)17(26)24(9-10-25)12-5-3-2-4-6-12;1-23-15(17(18,19)20)11-12(22-23)13-5-6-14(26-13)16(25)21-7-4-10-24-8-2-3-9-24;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(21)8-22;1-20-11(13(14,15)16)7-8(19-20)9-3-4-10(22-9)12(21)18-6-2-5-17/h3-9,12H,10-11H2,1-2H3;7-8,11-12,25H,2-6,9-10H2,1H3;5-6,11H,2-4,7-10H2,1H3,(H,21,25);4-5,7,9,22H,2-3,6,8H2,1H3;3-4,7H,2,6H2,1H3,(H,18,21)
InChIKeyMFNXZQXXVWDRKK-UHFFFAOYSA-N
MW1869.02 g/mol
LogP17.37
Rot. Bonds23

About N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 159552330) has the molecular formula C82H88F15N17O7S5 and a molecular weight of 1869.02 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID159552330
Molecular FormulaC82H88F15N17O7S5
Molecular Weight1869.02 g/mol
Exact Mass1867.54
IUPAC NameN-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N(CCO)C3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC3CO)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCC#N)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCCN3CCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C19H18F3N3OS.C18H22F3N3O2S.C17H21F3N4OS.C15H16F3N3O2S.C13H11F3N4OS/c1-24(11-10-13-6-4-3-5-7-13)18(26)16-9-8-15(27-16)14-12-17(19(20,21)22)25(2)23-14;1-23-16(18(19,20)21)11-13(22-23)14-7-8-15(27-14)17(26)24(9-10-25)12-5-3-2-4-6-12;1-23-15(17(18,19)20)11-12(22-23)13-5-6-14(26-13)16(25)21-7-4-10-24-8-2-3-9-24;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(21)8-22;1-20-11(13(14,15)16)7-8(19-20)9-3-4-10(22-9)12(21)18-6-2-5-17/h3-9,12H,10-11H2,1-2H3;7-8,11-12,25H,2-6,9-10H2,1H3;5-6,11H,2-4,7-10H2,1H3,(H,21,25);4-5,7,9,22H,2-3,6,8H2,1H3;3-4,7H,2,6H2,1H3,(H,18,21)
InChIKeyMFNXZQXXVWDRKK-UHFFFAOYSA-N
XLogP17.37
TPSA275.72 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.02
LogP ≤ 517.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (CID 159552330) is N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is CN(CCc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N(CCO)C3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC3CO)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCC#N)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCCN3CCCC3)s2)cc1C(F)(F)F.
What is the InChIKey of N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is MFNXZQXXVWDRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS.C18H22F3N3O2S.C17H21F3N4OS.C15H16F3N3O2S.C13H11F3N4OS/c1-24(11-10-13-6-4-3-5-7-13)18(26)16-9-8-15(27-16)14-12-17(19(20,21)22)25(2)23-14;1-23-16(18(19,20)21)11-13(22-23)14-7-8-15(27-14)17(26)24(9-10-25)12-5-3-2-4-6-12;1-23-15(17(18,19)20)11-12(22-23)13-5-6-14(26-13)16(25)21-7-4-10-24-8-2-3-9-24;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(21)8-22;1-20-11(13(14,15)16)7-8(19-20)9-3-4-10(22-9)12(21)18-6-2-5-17/h3-9,12H,10-11H2,1-2H3;7-8,11-12,25H,2-6,9-10H2,1H3;5-6,11H,2-4,7-10H2,1H3,(H,21,25);4-5,7,9,22H,2-3,6,8H2,1H3;3-4,7H,2,6H2,1H3,(H,18,21).
What are the key properties of N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 1869.02 g/mol, XLogP of 17.37, 23 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;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-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 159552330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).