4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid

C69H72F2N18O14S — CID 159760346

About 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid

4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid (PubChem CID 159760346) has the molecular formula C69H72F2N18O14S and a molecular weight of 1447.51 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
• PubChem CID: 159760346
• Molecular Formula: C69H72F2N18O14S
• Molecular Weight: 1447.51 g/mol
• Exact Mass: 1446.52
• IUPAC Name: 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
• SMILES: COc1ccnc(-c2cnn(C)c2C(=O)CO)c1.COc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)CO)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)O)c1.Cc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1sc(-c2cnn(C)c2C(=O)O)nc1C(F)F
• InChI: InChI=1S/C13H15N3O2.C12H13N3O3.C12H13N3O2.C11H11N3O3.C11H11N3O2.C10H9F2N3O2S/c1-8-4-9(2)15-11(5-8)10-6-14-16(3)13(10)12(18)7-17;1-15-12(11(17)7-16)9(6-14-15)10-5-8(18-2)3-4-13-10;1-7-4-8(2)14-10(5-7)9-6-13-15(3)11(9)12(16)17;1-14-10(11(15)16)8(6-13-14)9-5-7(17-2)3-4-12-9;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16;1-4-6(8(11)12)14-9(18-4)5-3-13-15(2)7(5)10(16)17/h4-6,17H,7H2,1-3H3;3-6,16H,7H2,1-2H3;4-6H,1-3H3,(H,16,17);3-6H,1-2H3,(H,15,16);3-6H,1-2H3,(H,15,16);3,8H,1-2H3,(H,16,17)
• InChIKey: NEUHJIOEYSQLIW-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 426.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1447.51
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid (CID 159760346) is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid.

What is the SMILES notation for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The canonical SMILES for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid is COc1ccnc(-c2cnn(C)c2C(=O)CO)c1.COc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)CO)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)O)c1.Cc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1sc(-c2cnn(C)c2C(=O)O)nc1C(F)F.

What is the InChIKey of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The InChIKey is NEUHJIOEYSQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.C12H13N3O3.C12H13N3O2.C11H11N3O3.C11H11N3O2.C10H9F2N3O2S/c1-8-4-9(2)15-11(5-8)10-6-14-16(3)13(10)12(18)7-17;1-15-12(11(17)7-16)9(6-14-15)10-5-8(18-2)3-4-13-10;1-7-4-8(2)14-10(5-7)9-6-13-15(3)11(9)12(16)17;1-14-10(11(15)16)8(6-13-14)9-5-7(17-2)3-4-12-9;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16;1-4-6(8(11)12)14-9(18-4)5-3-13-15(2)7(5)10(16)17/h4-6,17H,7H2,1-3H3;3-6,16H,7H2,1-2H3;4-6H,1-3H3,(H,16,17);3-6H,1-2H3,(H,15,16);3-6H,1-2H3,(H,15,16);3,8H,1-2H3,(H,16,17).

What are the key properties of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid has a molecular weight of 1447.51 g/mol, XLogP of 8.90, 17 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 159760346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).