2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide

C120H96F4N20O9S7 — CID 161328996

IUPAC2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1.Cc1ccsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1.Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cn1nc(-c2cccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H15F2N3O2.C21H15F2N3OS.C20H17N3O2S.C20H17N3OS2.C19H16N4O2S.C19H16N4OS2/c2*1-26-18(12-17(25-26)19-6-3-11-28-19)13-7-9-14(10-8-13)24-21(27)20-15(22)4-2-5-16(20)23;2*1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18;2*1-12-11-20-26-18(12)19(24)21-14-7-5-13(6-8-14)16-10-15(22-23(16)2)17-4-3-9-25-17/h2*2-12H,1H3,(H,24,27);2*3-12H,1-2H3,(H,21,24);2*3-11H,1-2H3,(H,21,24)
InChIKeyVLDWNFOLABWEMI-UHFFFAOYSA-N
MW2262.68 g/mol
LogP29.83
Rot. Bonds24

About 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide

2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide (PubChem CID 161328996) has the molecular formula C120H96F4N20O9S7 and a molecular weight of 2262.68 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
PubChem CID161328996
Molecular FormulaC120H96F4N20O9S7
Molecular Weight2262.68 g/mol
Exact Mass2260.57
IUPAC Name2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1.Cc1ccsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1.Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cn1nc(-c2cccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H15F2N3O2.C21H15F2N3OS.C20H17N3O2S.C20H17N3OS2.C19H16N4O2S.C19H16N4OS2/c2*1-26-18(12-17(25-26)19-6-3-11-28-19)13-7-9-14(10-8-13)24-21(27)20-15(22)4-2-5-16(20)23;2*1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18;2*1-12-11-20-26-18(12)19(24)21-14-7-5-13(6-8-14)16-10-15(22-23(16)2)17-4-3-9-25-17/h2*2-12H,1H3,(H,24,27);2*3-12H,1-2H3,(H,21,24);2*3-11H,1-2H3,(H,21,24)
InChIKeyVLDWNFOLABWEMI-UHFFFAOYSA-N
XLogP29.83
TPSA346.72 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms160
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002262.68
LogP ≤ 529.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide (CID 161328996) is 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1.Cc1ccsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1.Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cn1nc(-c2cccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is VLDWNFOLABWEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2.C21H15F2N3OS.C20H17N3O2S.C20H17N3OS2.C19H16N4O2S.C19H16N4OS2/c2*1-26-18(12-17(25-26)19-6-3-11-28-19)13-7-9-14(10-8-13)24-21(27)20-15(22)4-2-5-16(20)23;2*1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18;2*1-12-11-20-26-18(12)19(24)21-14-7-5-13(6-8-14)16-10-15(22-23(16)2)17-4-3-9-25-17/h2*2-12H,1H3,(H,24,27);2*3-12H,1-2H3,(H,21,24);2*3-11H,1-2H3,(H,21,24).
What are the key properties of 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide?
2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 2262.68 g/mol, XLogP of 29.83, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]benzamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide;4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide;3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 161328996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).