trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid

C62H57FN19Na3O13S — CID 160946609

About trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid

trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid (PubChem CID 160946609) has the molecular formula C62H57FN19Na3O13S and a molecular weight of 1396.29 g/mol. Its IUPAC name is trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid
• PubChem CID: 160946609
• Molecular Formula: C62H57FN19Na3O13S
• Molecular Weight: 1396.29 g/mol
• Exact Mass: 1395.38
• IUPAC Name: trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid
• SMILES: COc1cccnc1-c1cnn(C)c1C(=O)[O-].Cc1cccc(-c2cnn(C)c2C(=O)O)n1.Cc1ccnc(-c2cnn(C)c2C(=O)[O-])c1.Cc1cnc(-c2cnn(C)c2C(=O)O)cn1.Cc1csc(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2cc(F)ccn2)c1C(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C11H11N3O3.2C11H11N3O2.C10H8FN3O2.C10H10N4O2.C9H9N3O2S.3Na/c1-14-10(11(15)16)7(6-13-14)9-8(17-2)4-3-5-12-9;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16;1-7-4-3-5-9(13-7)8-6-12-14(2)10(8)11(15)16;1-14-9(10(15)16)7(5-13-14)8-4-6(11)2-3-12-8;1-6-3-12-8(5-11-6)7-4-13-14(2)9(7)10(15)16;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;;;/h3-6H,1-2H3,(H,15,16);2*3-6H,1-2H3,(H,15,16);2-5H,1H3,(H,15,16);3-5H,1-2H3,(H,15,16);3-4H,1-2H3,(H,13,14);;;/q;;;;;;3*+1/p-3
• InChIKey: SVEVAETURRMSGA-UHFFFAOYSA-K
• XLogP: -5.07
• TPSA: 438.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1396.29
LogP ≤ 5	-5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid?

The IUPAC name of trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid (CID 160946609) is trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid.

What is the SMILES notation for trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid?

The canonical SMILES for trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid is COc1cccnc1-c1cnn(C)c1C(=O)[O-].Cc1cccc(-c2cnn(C)c2C(=O)O)n1.Cc1ccnc(-c2cnn(C)c2C(=O)[O-])c1.Cc1cnc(-c2cnn(C)c2C(=O)O)cn1.Cc1csc(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2cc(F)ccn2)c1C(=O)[O-].[Na+].[Na+].[Na+].

What is the InChIKey of trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid?

The InChIKey is SVEVAETURRMSGA-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H11N3O3.2C11H11N3O2.C10H8FN3O2.C10H10N4O2.C9H9N3O2S.3Na/c1-14-10(11(15)16)7(6-13-14)9-8(17-2)4-3-5-12-9;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16;1-7-4-3-5-9(13-7)8-6-12-14(2)10(8)11(15)16;1-14-9(10(15)16)7(5-13-14)8-4-6(11)2-3-12-8;1-6-3-12-8(5-11-6)7-4-13-14(2)9(7)10(15)16;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;;;/h3-6H,1-2H3,(H,15,16);2*3-6H,1-2H3,(H,15,16);2-5H,1H3,(H,15,16);3-5H,1-2H3,(H,15,16);3-4H,1-2H3,(H,13,14);;;/q;;;;;;3*+1/p-3.

What are the key properties of trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid?

trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 1396.29 g/mol, XLogP of -5.07, 13 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 160946609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).