disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid

C63H56F6N20Na2O12S — CID 159779400

IUPACdisodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)[O-])c1.Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1cncc(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ccc(F)cn2)c1C(=O)[O-].Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)O.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)O.[Na+].[Na+]
InChIInChI=1S/C12H13N3O2.C11H8F3N3O2.C11H12N4O2.C10H8FN3O2.C10H10N4O2.C9H7F2N3O2S.2Na/c1-7-4-8(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;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-9(10(15)16)7(5-13-14)8-3-2-6(11)4-12-8;1-6-3-11-5-8(13-6)7-4-12-14(2)9(7)10(15)16;1-14-6(9(15)16)4(2-12-14)8-13-5(3-17-8)7(10)11;;/h4-6H,1-3H3,(H,16,17);2-5H,1H3,(H,18,19);3-5,16H,6H2,1-2H3;2-5H,1H3,(H,15,16);3-5H,1-2H3,(H,15,16);2-3,7H,1H3,(H,15,16);;/q;;;;;;2*+1/p-2
InChIKeyNHDXVKYMILNLNU-UHFFFAOYSA-L
MW1477.30 g/mol
LogP0.08
Rot. Bonds14

About disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid

disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid (PubChem CID 159779400) has the molecular formula C63H56F6N20Na2O12S and a molecular weight of 1477.30 g/mol. Its IUPAC name is disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Namedisodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
PubChem CID159779400
Molecular FormulaC63H56F6N20Na2O12S
Molecular Weight1477.30 g/mol
Exact Mass1476.38
IUPAC Namedisodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)[O-])c1.Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1cncc(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ccc(F)cn2)c1C(=O)[O-].Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)O.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)O.[Na+].[Na+]
InChIInChI=1S/C12H13N3O2.C11H8F3N3O2.C11H12N4O2.C10H8FN3O2.C10H10N4O2.C9H7F2N3O2S.2Na/c1-7-4-8(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;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-9(10(15)16)7(5-13-14)8-3-2-6(11)4-12-8;1-6-3-11-5-8(13-6)7-4-12-14(2)9(7)10(15)16;1-14-6(9(15)16)4(2-12-14)8-13-5(3-17-8)7(10)11;;/h4-6H,1-3H3,(H,16,17);2-5H,1H3,(H,18,19);3-5,16H,6H2,1-2H3;2-5H,1H3,(H,15,16);3-5H,1-2H3,(H,15,16);2-3,7H,1H3,(H,15,16);;/q;;;;;;2*+1/p-2
InChIKeyNHDXVKYMILNLNU-UHFFFAOYSA-L
XLogP0.08
TPSA439.50 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001477.30
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The IUPAC name of disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid (CID 159779400) is disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The canonical SMILES for disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid is Cc1cc(C)nc(-c2cnn(C)c2C(=O)[O-])c1.Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1cncc(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ccc(F)cn2)c1C(=O)[O-].Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)O.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)O.[Na+].[Na+].
What is the InChIKey of disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The InChIKey is NHDXVKYMILNLNU-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13N3O2.C11H8F3N3O2.C11H12N4O2.C10H8FN3O2.C10H10N4O2.C9H7F2N3O2S.2Na/c1-7-4-8(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;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-9(10(15)16)7(5-13-14)8-3-2-6(11)4-12-8;1-6-3-11-5-8(13-6)7-4-12-14(2)9(7)10(15)16;1-14-6(9(15)16)4(2-12-14)8-13-5(3-17-8)7(10)11;;/h4-6H,1-3H3,(H,16,17);2-5H,1H3,(H,18,19);3-5,16H,6H2,1-2H3;2-5H,1H3,(H,15,16);3-5H,1-2H3,(H,15,16);2-3,7H,1H3,(H,15,16);;/q;;;;;;2*+1/p-2.
What are the key properties of disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid has a molecular weight of 1477.30 g/mol, XLogP of 0.08, 14 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 159779400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).