(2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

C77H93F15N16O7S6 — CID 158902522

About (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;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;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 158902522) has the molecular formula C77H93F15N16O7S6 and a molecular weight of 1832.07 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 158902522
• Molecular Formula: C77H93F15N16O7S6
• Molecular Weight: 1832.07 g/mol
• Exact Mass: 1830.55
• IUPAC Name: (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
• SMILES: CC(C)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CC1CN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC(C)O1.CCCSCC.COCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCN3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(N)=O)s2)cc1C(F)(F)F
• InChI: InChI=1S/C17H21F3N4OS.C16H18F3N3O2S.C15H18F3N3OS.C14H16F3N3O2S.C10H8F3N3OS.C5H12S/c1-23-15(17(18,19)20)11-12(22-23)13-5-6-14(26-13)16(25)21-7-10-24-8-3-2-4-9-24;1-9-7-22(8-10(2)24-9)15(23)13-5-4-12(25-13)11-6-14(16(17,18)19)21(3)20-11;1-9(2)6-7-19-14(22)12-5-4-11(23-12)10-8-13(15(16,17)18)21(3)20-10;1-20-12(14(15,16)17)8-9(19-20)10-4-5-11(23-10)13(21)18-6-3-7-22-2;1-16-8(10(11,12)13)4-5(15-16)6-2-3-7(18-6)9(14)17;1-3-5-6-4-2/h5-6,11H,2-4,7-10H2,1H3,(H,21,25);4-6,9-10H,7-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3,(H,19,22);4-5,8H,3,6-7H2,1-2H3,(H,18,21);2-4H,1H3,(H2,14,17);3-5H2,1-2H3
• InChIKey: JFPWPLGDMVJCOO-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 261.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1832.07
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 158902522) is (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is CC(C)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CC1CN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC(C)O1.CCCSCC.COCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCN3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(N)=O)s2)cc1C(F)(F)F.

What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The InChIKey is JFPWPLGDMVJCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4OS.C16H18F3N3O2S.C15H18F3N3OS.C14H16F3N3O2S.C10H8F3N3OS.C5H12S/c1-23-15(17(18,19)20)11-12(22-23)13-5-6-14(26-13)16(25)21-7-10-24-8-3-2-4-9-24;1-9-7-22(8-10(2)24-9)15(23)13-5-4-12(25-13)11-6-14(16(17,18)19)21(3)20-11;1-9(2)6-7-19-14(22)12-5-4-11(23-12)10-8-13(15(16,17)18)21(3)20-10;1-20-12(14(15,16)17)8-9(19-20)10-4-5-11(23-10)13(21)18-6-3-7-22-2;1-16-8(10(11,12)13)4-5(15-16)6-2-3-7(18-6)9(14)17;1-3-5-6-4-2/h5-6,11H,2-4,7-10H2,1H3,(H,21,25);4-6,9-10H,7-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3,(H,19,22);4-5,8H,3,6-7H2,1-2H3,(H,18,21);2-4H,1H3,(H2,14,17);3-5H2,1-2H3.

What are the key properties of (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;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;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 1832.07 g/mol, XLogP of 18.09, 23 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-ethylsulfanylpropane;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 158902522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).