N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

C60H61F12N13O5S4 — CID 157106294

About N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 157106294) has the molecular formula C60H61F12N13O5S4 and a molecular weight of 1400.48 g/mol. Its IUPAC name is N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 157106294
• Molecular Formula: C60H61F12N13O5S4
• Molecular Weight: 1400.48 g/mol
• Exact Mass: 1399.36
• IUPAC Name: N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
• SMILES: CCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCOCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1ccc(CCNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1.Cn1nc(-c2ccc(C(=O)NCC#N)s2)cc1C(F)(F)F
• InChI: InChI=1S/C19H18F3N3OS.C15H18F3N3O2S.C14H16F3N3OS.C12H9F3N4OS/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;1-3-23-8-4-7-19-14(22)12-6-5-11(24-12)10-9-13(15(16,17)18)21(2)20-10;1-3-4-7-18-13(21)11-6-5-10(22-11)9-8-12(14(15,16)17)20(2)19-9;1-19-10(12(13,14)15)6-7(18-19)8-2-3-9(21-8)11(20)17-5-4-16/h3-8,11H,9-10H2,1-2H3,(H,23,26);5-6,9H,3-4,7-8H2,1-2H3,(H,19,22);5-6,8H,3-4,7H2,1-2H3,(H,18,21);2-3,6H,5H2,1H3,(H,17,20)
• InChIKey: AGILFCQFMYLJMT-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 220.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.48
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 157106294) is N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The canonical SMILES for N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is CCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCOCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1ccc(CCNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1.Cn1nc(-c2ccc(C(=O)NCC#N)s2)cc1C(F)(F)F.

What is the InChIKey of N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The InChIKey is AGILFCQFMYLJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS.C15H18F3N3O2S.C14H16F3N3OS.C12H9F3N4OS/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;1-3-23-8-4-7-19-14(22)12-6-5-11(24-12)10-9-13(15(16,17)18)21(2)20-10;1-3-4-7-18-13(21)11-6-5-10(22-11)9-8-12(14(15,16)17)20(2)19-9;1-19-10(12(13,14)15)6-7(18-19)8-2-3-9(21-8)11(20)17-5-4-16/h3-8,11H,9-10H2,1-2H3,(H,23,26);5-6,9H,3-4,7-8H2,1-2H3,(H,19,22);5-6,8H,3-4,7H2,1-2H3,(H,18,21);2-3,6H,5H2,1H3,(H,17,20).

What are the key properties of N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 1400.48 g/mol, XLogP of 13.89, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-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;N-[2-(4-methylphenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 157106294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).