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;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

C61H57ClF12N12O5S4 — CID 160683208

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;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
SMILESCCC(CC)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.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
InChIInChI=1S/C17H13ClF3N3OS.C16H20F3N3OS.C15H12F3N3O2S.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;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;1-18-11(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);2-7H,8H2,1H3,(H,19,22);3-4,7H,2,5-6H2,1H3
InChIKeyROKPXHJQPDNHSM-UHFFFAOYSA-N
MW1429.90 g/mol
LogP15.79
Rot. Bonds16

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;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

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;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 (PubChem CID 160683208) has the molecular formula C61H57ClF12N12O5S4 and a molecular weight of 1429.90 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;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.

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;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
PubChem CID160683208
Molecular FormulaC61H57ClF12N12O5S4
Molecular Weight1429.90 g/mol
Exact Mass1428.30
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;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
SMILESCCC(CC)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.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
InChIInChI=1S/C17H13ClF3N3OS.C16H20F3N3OS.C15H12F3N3O2S.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;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;1-18-11(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);2-7H,8H2,1H3,(H,19,22);3-4,7H,2,5-6H2,1H3
InChIKeyROKPXHJQPDNHSM-UHFFFAOYSA-N
XLogP15.79
TPSA192.03 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001429.90
LogP ≤ 515.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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;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 with MolForge

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Related Compounds

azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;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-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 159144862
N-[(5-fluoro-2-methylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 159534977
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
N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(3,5-difluorophenyl)methyl]-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;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 160011077
N-[2-(4-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-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-(2-phenoxyethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 160055298
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;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 160423270
N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(4-methylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 161635277
2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone
CID 157528982
2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone
CID 158014692

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;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?
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;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 (CID 160683208) 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;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.
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;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?
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;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 is CCC(CC)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.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.
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;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?
The InChIKey is ROKPXHJQPDNHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3OS.C16H20F3N3OS.C15H12F3N3O2S.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;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;1-18-11(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);2-7H,8H2,1H3,(H,19,22);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;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?
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;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 has a molecular weight of 1429.90 g/mol, XLogP of 15.79, 16 rotatable bonds, 3 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 160683208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).