N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone

C98H93F18N21O7S6 — CID 158737684

About N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone

N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 158737684) has the molecular formula C98H93F18N21O7S6 and a molecular weight of 2211.33 g/mol. Its IUPAC name is N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
• PubChem CID: 158737684
• Molecular Formula: C98H93F18N21O7S6
• Molecular Weight: 2211.33 g/mol
• Exact Mass: 2209.56
• IUPAC Name: N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
• SMILES: CC(C)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCN(Cc1ccncc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.COCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccnc3)s2)cc1C(F)(F)F
• InChI: InChI=1S/C20H19F3N4OS.C18H17F3N4OS.C17H14F3N3OS.C16H13F3N4OS.C14H16F3N3OS.C13H14F3N3O2S/c1-25-18(20(21,22)23)13-15(24-25)16-7-8-17(29-16)19(28)27-11-9-26(10-12-27)14-5-3-2-4-6-14;1-3-25(11-12-6-8-22-9-7-12)17(26)15-5-4-14(27-15)13-10-16(18(19,20)21)24(2)23-13;1-23-15(17(18,19)20)9-12(22-23)13-7-8-14(25-13)16(24)21-10-11-5-3-2-4-6-11;1-23-14(16(17,18)19)7-11(22-23)12-4-5-13(25-12)15(24)21-9-10-3-2-6-20-8-10;1-8(2)7-18-13(21)11-5-4-10(22-11)9-6-12(14(15,16)17)20(3)19-9;1-19-11(13(14,15)16)7-8(18-19)9-3-4-10(22-9)12(20)17-5-6-21-2/h2-8,13H,9-12H2,1H3;4-10H,3,11H2,1-2H3;2-9H,10H2,1H3,(H,21,24);2-8H,9H2,1H3,(H,21,24);4-6,8H,7H2,1-3H3,(H,18,21);3-4,7H,5-6H2,1-2H3,(H,17,20)
• InChIKey: ILWQXYAEJZHJQV-UHFFFAOYSA-N
• XLogP: 22.04
• TPSA: 302.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.33
LogP ≤ 5	22.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The IUPAC name of N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 158737684) is N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone.

What is the SMILES notation for N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The canonical SMILES for N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone is CC(C)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCN(Cc1ccncc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.COCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccnc3)s2)cc1C(F)(F)F.

What is the InChIKey of N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The InChIKey is ILWQXYAEJZHJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4OS.C18H17F3N4OS.C17H14F3N3OS.C16H13F3N4OS.C14H16F3N3OS.C13H14F3N3O2S/c1-25-18(20(21,22)23)13-15(24-25)16-7-8-17(29-16)19(28)27-11-9-26(10-12-27)14-5-3-2-4-6-14;1-3-25(11-12-6-8-22-9-7-12)17(26)15-5-4-14(27-15)13-10-16(18(19,20)21)24(2)23-13;1-23-15(17(18,19)20)9-12(22-23)13-7-8-14(25-13)16(24)21-10-11-5-3-2-4-6-11;1-23-14(16(17,18)19)7-11(22-23)12-4-5-13(25-12)15(24)21-9-10-3-2-6-20-8-10;1-8(2)7-18-13(21)11-5-4-10(22-11)9-6-12(14(15,16)17)20(3)19-9;1-19-11(13(14,15)16)7-8(18-19)9-3-4-10(22-9)12(20)17-5-6-21-2/h2-8,13H,9-12H2,1H3;4-10H,3,11H2,1-2H3;2-9H,10H2,1H3,(H,21,24);2-8H,9H2,1H3,(H,21,24);4-6,8H,7H2,1-3H3,(H,18,21);3-4,7H,5-6H2,1-2H3,(H,17,20).

What are the key properties of N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone?

N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 2211.33 g/mol, XLogP of 22.04, 25 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 158737684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).