disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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

C62H58FN19Na2O12S — CID 158131595

About disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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

disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 158131595) has the molecular formula C62H58FN19Na2O12S and a molecular weight of 1358.31 g/mol. Its IUPAC name is disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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: disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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: 158131595
• Molecular Formula: C62H58FN19Na2O12S
• Molecular Weight: 1358.31 g/mol
• Exact Mass: 1357.40
• IUPAC Name: disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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: Cc1cccc(-c2cnn(C)c2C(=O)O)n1.Cc1cccnc1-c1cnn(C)c1C(=O)O.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+]
• InChI: InChI=1S/3C11H11N3O2.C10H8FN3O2.C10H10N4O2.C9H9N3O2S.2Na/c1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16;1-7-4-3-5-12-9(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*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;;;;;;2*+1/p-2
• InChIKey: FSVLZWRCLGSJQY-UHFFFAOYSA-L
• XLogP: -0.44
• TPSA: 426.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1358.31
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 158131595) is disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 Cc1cccc(-c2cnn(C)c2C(=O)O)n1.Cc1cccnc1-c1cnn(C)c1C(=O)O.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+].

What is the InChIKey of disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 FSVLZWRCLGSJQY-UHFFFAOYSA-L. The full InChI is InChI=1S/3C11H11N3O2.C10H8FN3O2.C10H10N4O2.C9H9N3O2S.2Na/c1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16;1-7-4-3-5-12-9(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*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;;;;;;2*+1/p-2.

What are the key properties of disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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?

disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 1358.31 g/mol, XLogP of -0.44, 12 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;4-(4-fluoro-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-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;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 158131595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).