N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide

C99H119F18N19O10S6 — CID 159770297

About N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide

N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide (PubChem CID 159770297) has the molecular formula C99H119F18N19O10S6 and a molecular weight of 2269.53 g/mol. Its IUPAC name is N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide
• PubChem CID: 159770297
• Molecular Formula: C99H119F18N19O10S6
• Molecular Weight: 2269.53 g/mol
• Exact Mass: 2267.74
• IUPAC Name: N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide
• SMILES: CC(O)CN(CC(C)O)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCN(CCO)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCN(CCC)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCOCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CN(C)CCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
• InChI: InChI=1S/C21H22F3N3OS.C16H20F3N3O3S.C16H20F3N3O2S.C16H20F3N3OS.C15H19F3N4OS.C15H18F3N3O2S/c1-3-4-12-27(14-15-8-6-5-7-9-15)20(28)18-11-10-17(29-18)16-13-19(21(22,23)24)26(2)25-16;1-9(23)7-22(8-10(2)24)15(25)13-5-4-12(26-13)11-6-14(16(17,18)19)21(3)20-11;1-3-4-7-22(8-9-23)15(24)13-6-5-12(25-13)11-10-14(16(17,18)19)21(2)20-11;1-4-8-22(9-5-2)15(23)13-7-6-12(24-13)11-10-14(16(17,18)19)21(3)20-11;1-21(2)8-4-7-19-14(23)12-6-5-11(24-12)10-9-13(15(16,17)18)22(3)20-10;1-3-23-8-4-7-19-14(22)12-6-5-11(24-12)10-9-13(15(16,17)18)21(2)20-10/h5-11,13H,3-4,12,14H2,1-2H3;4-6,9-10,23-24H,7-8H2,1-3H3;5-6,10,23H,3-4,7-9H2,1-2H3;6-7,10H,4-5,8-9H2,1-3H3;5-6,9H,4,7-8H2,1-3H3,(H,19,23);5-6,9H,3-4,7-8H2,1-2H3,(H,19,22)
• InChIKey: NGAIXUSXMVATBB-UHFFFAOYSA-N
• XLogP: 21.99
• TPSA: 319.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2269.53
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide?

The IUPAC name of N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide (CID 159770297) is N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide.

What is the SMILES notation for N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide?

The canonical SMILES for N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide is CC(O)CN(CC(C)O)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCN(CCO)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCN(CCC)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCOCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CN(C)CCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.

What is the InChIKey of N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide?

The InChIKey is NGAIXUSXMVATBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3OS.C16H20F3N3O3S.C16H20F3N3O2S.C16H20F3N3OS.C15H19F3N4OS.C15H18F3N3O2S/c1-3-4-12-27(14-15-8-6-5-7-9-15)20(28)18-11-10-17(29-18)16-13-19(21(22,23)24)26(2)25-16;1-9(23)7-22(8-10(2)24)15(25)13-5-4-12(26-13)11-6-14(16(17,18)19)21(3)20-11;1-3-4-7-22(8-9-23)15(24)13-6-5-12(25-13)11-10-14(16(17,18)19)21(2)20-11;1-4-8-22(9-5-2)15(23)13-7-6-12(24-13)11-10-14(16(17,18)19)21(3)20-11;1-21(2)8-4-7-19-14(23)12-6-5-11(24-12)10-9-13(15(16,17)18)22(3)20-10;1-3-23-8-4-7-19-14(22)12-6-5-11(24-12)10-9-13(15(16,17)18)21(2)20-10/h5-11,13H,3-4,12,14H2,1-2H3;4-6,9-10,23-24H,7-8H2,1-3H3;5-6,10,23H,3-4,7-9H2,1-2H3;6-7,10H,4-5,8-9H2,1-3H3;5-6,9H,4,7-8H2,1-3H3,(H,19,23);5-6,9H,3-4,7-8H2,1-2H3,(H,19,22).

What are the key properties of N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide?

N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide has a molecular weight of 2269.53 g/mol, XLogP of 21.99, 39 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[3-(dimethylamino)propyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-ethoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dipropylthiophene-2-carboxamide is sourced from PubChem (CID 159770297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).