sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid

C67H59F5N21NaO12S — CID 161305041

About sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid

sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid (PubChem CID 161305041) has the molecular formula C67H59F5N21NaO12S and a molecular weight of 1500.39 g/mol. Its IUPAC name is sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
• PubChem CID: 161305041
• Molecular Formula: C67H59F5N21NaO12S
• Molecular Weight: 1500.39 g/mol
• Exact Mass: 1499.42
• IUPAC Name: sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
• SMILES: Cc1cc(C)nc(-c2cnn(C)c2C(=O)[O-])c1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)CO)n1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)O.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)O.Cn1ncc(-c2ncccc2C#N)c1C(=O)CO.Cn1ncc(-c2ncccc2C#N)c1C(=O)O.[Na+]
• InChI: InChI=1S/C12H14N4O2.C12H10N4O2.C12H13N3O2.C11H8F3N3O2.C11H8N4O2.C9H7F2N3O2S.Na/c1-7-4-13-8(2)11(15-7)9-5-14-16(3)12(9)10(18)6-17;1-16-12(10(18)7-17)9(6-15-16)11-8(5-13)3-2-4-14-11;1-7-4-8(2)14-10(5-7)9-6-13-15(3)11(9)12(16)17;1-17-9(10(18)19)6(5-15-17)7-3-2-4-8(16-7)11(12,13)14;1-15-10(11(16)17)8(6-14-15)9-7(5-12)3-2-4-13-9;1-14-6(9(15)16)4(2-12-14)8-13-5(3-17-8)7(10)11;/h4-5,17H,6H2,1-3H3;2-4,6,17H,7H2,1H3;4-6H,1-3H3,(H,16,17);2-5H,1H3,(H,18,19);2-4,6H,1H3,(H,16,17);2-3,7H,1H3,(H,15,16);/q;;;;;;+1/p-1
• InChIKey: VIDDDUZUCYDDJA-UHFFFAOYSA-M
• XLogP: 4.09
• TPSA: 471.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1500.39
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?

The IUPAC name of sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid (CID 161305041) is sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid.

What is the SMILES notation for sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?

The canonical SMILES for sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid is Cc1cc(C)nc(-c2cnn(C)c2C(=O)[O-])c1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)CO)n1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)O.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)O.Cn1ncc(-c2ncccc2C#N)c1C(=O)CO.Cn1ncc(-c2ncccc2C#N)c1C(=O)O.[Na+].

What is the InChIKey of sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?

The InChIKey is VIDDDUZUCYDDJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N4O2.C12H10N4O2.C12H13N3O2.C11H8F3N3O2.C11H8N4O2.C9H7F2N3O2S.Na/c1-7-4-13-8(2)11(15-7)9-5-14-16(3)12(9)10(18)6-17;1-16-12(10(18)7-17)9(6-15-16)11-8(5-13)3-2-4-14-11;1-7-4-8(2)14-10(5-7)9-6-13-15(3)11(9)12(16)17;1-17-9(10(18)19)6(5-15-17)7-3-2-4-8(16-7)11(12,13)14;1-15-10(11(16)17)8(6-14-15)9-7(5-12)3-2-4-13-9;1-14-6(9(15)16)4(2-12-14)8-13-5(3-17-8)7(10)11;/h4-5,17H,6H2,1-3H3;2-4,6,17H,7H2,1H3;4-6H,1-3H3,(H,16,17);2-5H,1H3,(H,18,19);2-4,6H,1H3,(H,16,17);2-3,7H,1H3,(H,15,16);/q;;;;;;+1/p-1.

What are the key properties of sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?

sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid has a molecular weight of 1500.39 g/mol, XLogP of 4.09, 15 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 161305041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).