N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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

C69H65F12N13O8S4 — CID 159065744

About N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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 (PubChem CID 159065744) has the molecular formula C69H65F12N13O8S4 and a molecular weight of 1560.61 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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.

Molecular Properties

• Compound Name: N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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
• PubChem CID: 159065744
• Molecular Formula: C69H65F12N13O8S4
• Molecular Weight: 1560.61 g/mol
• Exact Mass: 1559.38
• IUPAC Name: N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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
• SMILES: COC(CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)OC.Cn1nc(-c2ccc(C(=O)N(CCC#N)Cc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC4(CC3)OCCO4)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCc4ccccc43)s2)cc1C(F)(F)F
• InChI: InChI=1S/C20H17F3N4OS.C18H14F3N3OS.C17H18F3N3O3S.C14H16F3N3O3S/c1-26-18(20(21,22)23)12-15(25-26)16-8-9-17(29-16)19(28)27(11-5-10-24)13-14-6-3-2-4-7-14;1-23-16(18(19,20)21)10-12(22-23)14-6-7-15(26-14)17(25)24-9-8-11-4-2-3-5-13(11)24;1-22-14(17(18,19)20)10-11(21-22)12-2-3-13(27-12)15(24)23-6-4-16(5-7-23)25-8-9-26-16;1-20-11(14(15,16)17)6-8(19-20)9-4-5-10(24-9)13(21)18-7-12(22-2)23-3/h2-4,6-9,12H,5,11,13H2,1H3;2-7,10H,8-9H2,1H3;2-3,10H,4-9H2,1H3;4-6,12H,7H2,1-3H3,(H,18,21)
• InChIKey: JZALNTMHWHSBJZ-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 222.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.61
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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?

The IUPAC name of N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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 (CID 159065744) is N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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.

What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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?

The canonical SMILES for N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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 is COC(CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)OC.Cn1nc(-c2ccc(C(=O)N(CCC#N)Cc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC4(CC3)OCCO4)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCc4ccccc43)s2)cc1C(F)(F)F.

What is the InChIKey of N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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?

The InChIKey is JZALNTMHWHSBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4OS.C18H14F3N3OS.C17H18F3N3O3S.C14H16F3N3O3S/c1-26-18(20(21,22)23)12-15(25-26)16-8-9-17(29-16)19(28)27(11-5-10-24)13-14-6-3-2-4-7-14;1-23-16(18(19,20)21)10-12(22-23)14-6-7-15(26-14)17(25)24-9-8-11-4-2-3-5-13(11)24;1-22-14(17(18,19)20)10-11(21-22)12-2-3-13(27-12)15(24)23-6-4-16(5-7-23)25-8-9-26-16;1-20-11(14(15,16)17)6-8(19-20)9-4-5-10(24-9)13(21)18-7-12(22-2)23-3/h2-4,6-9,12H,5,11,13H2,1H3;2-7,10H,8-9H2,1H3;2-3,10H,4-9H2,1H3;4-6,12H,7H2,1-3H3,(H,18,21).

What are the key properties of N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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 has a molecular weight of 1560.61 g/mol, XLogP of 14.76, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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 is sourced from PubChem (CID 159065744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).