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

C68H66F12N12O8S4 — CID 157218632

About 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

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 (PubChem CID 157218632) has the molecular formula C68H66F12N12O8S4 and a molecular weight of 1535.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157218632
• Molecular Formula: C68H66F12N12O8S4
• Molecular Weight: 1535.60 g/mol
• Exact Mass: 1534.38
• IUPAC Name: 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
• SMILES: COC(CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)OC.Cc1ccc(CCNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1.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/C19H18F3N3OS.C18H14F3N3OS.C17H18F3N3O3S.C14H16F3N3O3S/c1-12-3-5-13(6-4-12)9-10-23-18(26)16-8-7-15(27-16)14-11-17(19(20,21)22)25(2)24-14;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/h3-8,11H,9-10H2,1-2H3,(H,23,26);2-7,10H,8-9H2,1H3;2-3,10H,4-9H2,1H3;4-6,12H,7H2,1-3H3,(H,18,21)
• InChIKey: ASSGRHJRHHNYBJ-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 207.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.60
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COC(CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)OC.Cc1ccc(CCNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1.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 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?

The InChIKey is ASSGRHJRHHNYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS.C18H14F3N3OS.C17H18F3N3O3S.C14H16F3N3O3S/c1-12-3-5-13(6-4-12)9-10-23-18(26)16-8-7-15(27-16)14-11-17(19(20,21)22)25(2)24-14;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/h3-8,11H,9-10H2,1-2H3,(H,23,26);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 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?

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 has a molecular weight of 1535.60 g/mol, XLogP of 14.48, 15 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157218632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).