azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C90H81ClF18N18O7S7 — CID 159791306

IUPACazetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N3CC=CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccc(Cl)c3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccco3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccs3)s2)cc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N3OS.C16H20F3N3OS.C15H12F3N3O2S.C15H12F3N3OS2.C14H12F3N3OS.C13H12F3N3OS/c1-24-15(17(19,20)21)8-12(23-24)13-5-6-14(26-13)16(25)22-9-10-3-2-4-11(18)7-10;1-4-10(5-2)9-20-15(23)13-7-6-12(24-13)11-8-14(16(17,18)19)22(3)21-11;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(22)19-8-9-3-2-6-23-9;1-19-12(14(15,16)17)8-9(18-19)10-4-5-11(22-10)13(21)20-6-2-3-7-20;1-18-11(13(14,15)16)7-8(17-18)9-3-4-10(21-9)12(20)19-5-2-6-19/h2-8H,9H2,1H3,(H,22,25);6-8,10H,4-5,9H2,1-3H3,(H,20,23);2*2-7H,8H2,1H3,(H,19,22);2-5,8H,6-7H2,1H3;3-4,7H,2,5-6H2,1H3
InChIKeyNIPBOPCXCSLVOW-UHFFFAOYSA-N
MW2128.64 g/mol
LogP23.13
Rot. Bonds22

About azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 159791306) has the molecular formula C90H81ClF18N18O7S7 and a molecular weight of 2128.64 g/mol. Its IUPAC name is azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Nameazetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID159791306
Molecular FormulaC90H81ClF18N18O7S7
Molecular Weight2128.64 g/mol
Exact Mass2126.40
IUPAC Nameazetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N3CC=CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccc(Cl)c3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccco3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccs3)s2)cc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N3OS.C16H20F3N3OS.C15H12F3N3O2S.C15H12F3N3OS2.C14H12F3N3OS.C13H12F3N3OS/c1-24-15(17(19,20)21)8-12(23-24)13-5-6-14(26-13)16(25)22-9-10-3-2-4-11(18)7-10;1-4-10(5-2)9-20-15(23)13-7-6-12(24-13)11-8-14(16(17,18)19)22(3)21-11;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(22)19-8-9-3-2-6-23-9;1-19-12(14(15,16)17)8-9(18-19)10-4-5-11(22-10)13(21)20-6-2-3-7-20;1-18-11(13(14,15)16)7-8(17-18)9-3-4-10(21-9)12(20)19-5-2-6-19/h2-8H,9H2,1H3,(H,22,25);6-8,10H,4-5,9H2,1-3H3,(H,20,23);2*2-7H,8H2,1H3,(H,19,22);2-5,8H,6-7H2,1H3;3-4,7H,2,5-6H2,1H3
InChIKeyNIPBOPCXCSLVOW-UHFFFAOYSA-N
XLogP23.13
TPSA277.08 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002128.64
LogP ≤ 523.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 159791306) is azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is CCC(CC)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N3CC=CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccc(Cl)c3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccco3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccs3)s2)cc1C(F)(F)F.
What is the InChIKey of azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is NIPBOPCXCSLVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3OS.C16H20F3N3OS.C15H12F3N3O2S.C15H12F3N3OS2.C14H12F3N3OS.C13H12F3N3OS/c1-24-15(17(19,20)21)8-12(23-24)13-5-6-14(26-13)16(25)22-9-10-3-2-4-11(18)7-10;1-4-10(5-2)9-20-15(23)13-7-6-12(24-13)11-8-14(16(17,18)19)22(3)21-11;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(22)19-8-9-3-2-6-23-9;1-19-12(14(15,16)17)8-9(18-19)10-4-5-11(22-10)13(21)20-6-2-3-7-20;1-18-11(13(14,15)16)7-8(17-18)9-3-4-10(21-9)12(20)19-5-2-6-19/h2-8H,9H2,1H3,(H,22,25);6-8,10H,4-5,9H2,1-3H3,(H,20,23);2*2-7H,8H2,1H3,(H,19,22);2-5,8H,6-7H2,1H3;3-4,7H,2,5-6H2,1H3.
What are the key properties of azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 2128.64 g/mol, XLogP of 23.13, 22 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;2,5-dihydropyrrol-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 159791306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).