2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

C132H108N20O17S9 — CID 160746502

About 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 160746502) has the molecular formula C132H108N20O17S9 and a molecular weight of 2535.04 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
• PubChem CID: 160746502
• Molecular Formula: C132H108N20O17S9
• Molecular Weight: 2535.04 g/mol
• Exact Mass: 2532.57
• IUPAC Name: 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
• SMILES: COCc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)cc1.CSc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)cc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(N)cc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(NS(C)(=O)=O)cc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(OCc2ccccc2)cc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(S(C)=O)cc1
• InChI: InChI=1S/C27H21N3O3S.C22H19N3O3S.C21H18N4O4S2.C21H17N3O3S2.C21H17N3O2S2.C20H16N4O2S/c1-18-24(20-10-6-3-7-11-20)29-30(27-28-23(17-34-27)26(31)32)25(18)21-12-14-22(15-13-21)33-16-19-8-4-2-5-9-19;1-14-19(16-6-4-3-5-7-16)24-25(22-23-18(13-29-22)21(26)27)20(14)17-10-8-15(9-11-17)12-28-2;1-13-18(14-6-4-3-5-7-14)23-25(21-22-17(12-30-21)20(26)27)19(13)15-8-10-16(11-9-15)24-31(2,28)29;1-13-18(14-6-4-3-5-7-14)23-24(21-22-17(12-28-21)20(25)26)19(13)15-8-10-16(11-9-15)29(2)27;1-13-18(14-6-4-3-5-7-14)23-24(21-22-17(12-28-21)20(25)26)19(13)15-8-10-16(27-2)11-9-15;1-12-17(13-5-3-2-4-6-13)23-24(20-22-16(11-27-20)19(25)26)18(12)14-7-9-15(21)10-8-14/h2-15,17H,16H2,1H3,(H,31,32);3-11,13H,12H2,1-2H3,(H,26,27);3-12,24H,1-2H3,(H,26,27);3-12H,1-2H3,(H,25,26);3-12H,1-2H3,(H,25,26);2-11H,21H2,1H3,(H,25,26)
• InChIKey: RWGGPKIMPYFGGQ-UHFFFAOYSA-N
• XLogP: 29.15
• TPSA: 515.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2535.04
LogP ≤ 5	29.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 160746502) is 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is COCc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)cc1.CSc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)cc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(N)cc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(NS(C)(=O)=O)cc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(OCc2ccccc2)cc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(S(C)=O)cc1.

What is the InChIKey of 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?

The InChIKey is RWGGPKIMPYFGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S.C22H19N3O3S.C21H18N4O4S2.C21H17N3O3S2.C21H17N3O2S2.C20H16N4O2S/c1-18-24(20-10-6-3-7-11-20)29-30(27-28-23(17-34-27)26(31)32)25(18)21-12-14-22(15-13-21)33-16-19-8-4-2-5-9-19;1-14-19(16-6-4-3-5-7-16)24-25(22-23-18(13-29-22)21(26)27)20(14)17-10-8-15(9-11-17)12-28-2;1-13-18(14-6-4-3-5-7-14)23-25(21-22-17(12-30-21)20(26)27)19(13)15-8-10-16(11-9-15)24-31(2,28)29;1-13-18(14-6-4-3-5-7-14)23-24(21-22-17(12-28-21)20(25)26)19(13)15-8-10-16(11-9-15)29(2)27;1-13-18(14-6-4-3-5-7-14)23-24(21-22-17(12-28-21)20(25)26)19(13)15-8-10-16(27-2)11-9-15;1-12-17(13-5-3-2-4-6-13)23-24(20-22-16(11-27-20)19(25)26)18(12)14-7-9-15(21)10-8-14/h2-15,17H,16H2,1H3,(H,31,32);3-11,13H,12H2,1-2H3,(H,26,27);3-12,24H,1-2H3,(H,26,27);3-12H,1-2H3,(H,25,26);3-12H,1-2H3,(H,25,26);2-11H,21H2,1H3,(H,25,26).

What are the key properties of 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?

2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 2535.04 g/mol, XLogP of 29.15, 33 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methanesulfonamido)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-[4-(methoxymethyl)phenyl]-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfanylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(4-methylsulfinylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 160746502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).