N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

C84H77F17N16O6S7 — CID 162157299

About N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 162157299) has the molecular formula C84H77F17N16O6S7 and a molecular weight of 1954.08 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
• PubChem CID: 162157299
• Molecular Formula: C84H77F17N16O6S7
• Molecular Weight: 1954.08 g/mol
• Exact Mass: 1952.40
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
• SMILES: CC([C@@H](O)c1ccccc1)N(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCSCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCc3cccnc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cc(F)cc(F)c3)s2)cc1C(F)(F)F
• InChI: InChI=1S/C20H20F3N3O2S.C17H12F5N3OS.C17H15F3N4OS.C16H14F3N3OS2.C14H16F3N3OS2/c1-12(18(27)13-7-5-4-6-8-13)25(2)19(28)16-10-9-15(29-16)14-11-17(20(21,22)23)26(3)24-14;1-25-15(17(20,21)22)7-12(24-25)13-2-3-14(27-13)16(26)23-8-9-4-10(18)6-11(19)5-9;1-24-15(17(18,19)20)9-12(23-24)13-4-5-14(26-13)16(25)22-8-6-11-3-2-7-21-10-11;1-22-14(16(17,18)19)9-11(21-22)12-4-5-13(25-12)15(23)20-7-6-10-3-2-8-24-10;1-3-22-7-6-18-13(21)11-5-4-10(23-11)9-8-12(14(15,16)17)20(2)19-9/h4-12,18,27H,1-3H3;2-7H,8H2,1H3,(H,23,26);2-5,7,9-10H,6,8H2,1H3,(H,22,25);2-5,8-9H,6-7H2,1H3,(H,20,23);4-5,8H,3,6-7H2,1-2H3,(H,18,21)/t12?,18-;;;;/m1..../s1
• InChIKey: ZLZPWPXRMOJRKD-YPORQMHISA-N
• XLogP: 20.12
• TPSA: 258.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.08
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	5
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 N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?

The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 162157299) is N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?

The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is CC([C@@H](O)c1ccccc1)N(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCSCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCc3cccnc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cc(F)cc(F)c3)s2)cc1C(F)(F)F.

What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?

The InChIKey is ZLZPWPXRMOJRKD-YPORQMHISA-N. The full InChI is InChI=1S/C20H20F3N3O2S.C17H12F5N3OS.C17H15F3N4OS.C16H14F3N3OS2.C14H16F3N3OS2/c1-12(18(27)13-7-5-4-6-8-13)25(2)19(28)16-10-9-15(29-16)14-11-17(20(21,22)23)26(3)24-14;1-25-15(17(20,21)22)7-12(24-25)13-2-3-14(27-13)16(26)23-8-9-4-10(18)6-11(19)5-9;1-24-15(17(18,19)20)9-12(23-24)13-4-5-14(26-13)16(25)22-8-6-11-3-2-7-21-10-11;1-22-14(16(17,18)19)9-11(21-22)12-4-5-13(25-12)15(23)20-7-6-10-3-2-8-24-10;1-3-22-7-6-18-13(21)11-5-4-10(23-11)9-8-12(14(15,16)17)20(2)19-9/h4-12,18,27H,1-3H3;2-7H,8H2,1H3,(H,23,26);2-5,7,9-10H,6,8H2,1H3,(H,22,25);2-5,8-9H,6-7H2,1H3,(H,20,23);4-5,8H,3,6-7H2,1-2H3,(H,18,21)/t12?,18-;;;;/m1..../s1.

What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?

N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 1954.08 g/mol, XLogP of 20.12, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylsulfanylethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 162157299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).