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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide

C91H80F15N17O7S5 — CID 158229072

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 158229072) has the molecular formula C91H80F15N17O7S5 and a molecular weight of 1969.06 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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide.

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
• PubChem CID: 158229072
• Molecular Formula: C91H80F15N17O7S5
• Molecular Weight: 1969.06 g/mol
• Exact Mass: 1967.48
• 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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
• SMILES: 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.Cn1nc(-c2ccc(C(=O)N3CCc4ccccc4C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cccnc3)s2)cc1C(F)(F)F
• InChI: InChI=1S/C20H17F3N4OS.C19H16F3N3OS.C18H14F3N3OS.C17H15F3N4OS.C17H18F3N3O3S/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;1-24-17(19(20,21)22)10-14(23-24)15-6-7-16(27-15)18(26)25-9-8-12-4-2-3-5-13(12)11-25;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;1-24-15(17(18,19)20)9-12(23-24)13-4-5-14(26-13)16(25)22-8-6-11-3-2-7-21-10-11;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/h2-4,6-9,12H,5,11,13H2,1H3;2-7,10H,8-9,11H2,1H3;2-7,10H,8-9H2,1H3;2-5,7,9-10H,6,8H2,1H3,(H,22,25);2-3,10H,4-9H2,1H3
• InChIKey: GEDRTVDIKOAHMT-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 254.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1969.06
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide (CID 158229072) 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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide.

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide is 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.Cn1nc(-c2ccc(C(=O)N3CCc4ccccc4C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cccnc3)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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?

The InChIKey is GEDRTVDIKOAHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4OS.C19H16F3N3OS.C18H14F3N3OS.C17H15F3N4OS.C17H18F3N3O3S/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;1-24-17(19(20,21)22)10-14(23-24)15-6-7-16(27-15)18(26)25-9-8-12-4-2-3-5-13(12)11-25;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;1-24-15(17(18,19)20)9-12(23-24)13-4-5-14(26-13)16(25)22-8-6-11-3-2-7-21-10-11;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/h2-4,6-9,12H,5,11,13H2,1H3;2-7,10H,8-9,11H2,1H3;2-7,10H,8-9H2,1H3;2-5,7,9-10H,6,8H2,1H3,(H,22,25);2-3,10H,4-9H2,1H3.

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?

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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 1969.06 g/mol, XLogP of 20.14, 17 rotatable bonds, 1 hydrogen bond donors, and 24 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;3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 158229072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).