deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride

C41H59FN12O9S2-2 — CID 161390166

About deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride

deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride (PubChem CID 161390166) has the molecular formula C41H59FN12O9S2-2 and a molecular weight of 948.14 g/mol. Its IUPAC name is deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride.

Molecular Properties

• Compound Name: deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride
• PubChem CID: 161390166
• Molecular Formula: C41H59FN12O9S2-2
• Molecular Weight: 948.14 g/mol
• Exact Mass: 947.40
• IUPAC Name: deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride
• SMILES: C.Cc1nc(-n2ccc(OCC(C)(C)C)n2)ccc1C(=O)NS(=O)(=O)c1cn(C)nc1C.Cc1nc(-n2ccc(OCC(C)(C)C)n2)ccc1C(=O)O.Cc1nn(C)cc1S(N)(=O)=O.[2H-].[F-]
• InChI: InChI=1S/C20H26N6O4S.C15H19N3O3.C5H9N3O2S.CH4.FH.H/c1-13-15(19(27)24-31(28,29)16-11-25(6)22-14(16)2)7-8-17(21-13)26-10-9-18(23-26)30-12-20(3,4)5;1-10-11(14(19)20)5-6-12(16-10)18-8-7-13(17-18)21-9-15(2,3)4;1-4-5(11(6,9)10)3-8(2)7-4;;;/h7-11H,12H2,1-6H3,(H,24,27);5-8H,9H2,1-4H3,(H,19,20);3H,1-2H3,(H2,6,9,10);1H4;1H;/q;;;;;-1/p-1/i;;;;;1+1
• InChIKey: VSWPNBBPCSUNNX-PUQAOBSFSA-M
• XLogP: 1.99
• TPSA: 276.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.14
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride?

The IUPAC name of deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride (CID 161390166) is deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride.

What is the SMILES notation for deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride?

The canonical SMILES for deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride is C.Cc1nc(-n2ccc(OCC(C)(C)C)n2)ccc1C(=O)NS(=O)(=O)c1cn(C)nc1C.Cc1nc(-n2ccc(OCC(C)(C)C)n2)ccc1C(=O)O.Cc1nn(C)cc1S(N)(=O)=O.[2H-].[F-].

What is the InChIKey of deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride?

The InChIKey is VSWPNBBPCSUNNX-PUQAOBSFSA-M. The full InChI is InChI=1S/C20H26N6O4S.C15H19N3O3.C5H9N3O2S.CH4.FH.H/c1-13-15(19(27)24-31(28,29)16-11-25(6)22-14(16)2)7-8-17(21-13)26-10-9-18(23-26)30-12-20(3,4)5;1-10-11(14(19)20)5-6-12(16-10)18-8-7-13(17-18)21-9-15(2,3)4;1-4-5(11(6,9)10)3-8(2)7-4;;;/h7-11H,12H2,1-6H3,(H,24,27);5-8H,9H2,1-4H3,(H,19,20);3H,1-2H3,(H2,6,9,10);1H4;1H;/q;;;;;-1/p-1/i;;;;;1+1.

What are the key properties of deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride?

deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride has a molecular weight of 948.14 g/mol, XLogP of 1.99, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride is sourced from PubChem (CID 161390166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).