2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide

C42H54Cl2F6N12O9S2Si2 — CID 157385222

About 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide

2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide (PubChem CID 157385222) has the molecular formula C42H54Cl2F6N12O9S2Si2 and a molecular weight of 1176.17 g/mol. Its IUPAC name is 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide
• PubChem CID: 157385222
• Molecular Formula: C42H54Cl2F6N12O9S2Si2
• Molecular Weight: 1176.17 g/mol
• Exact Mass: 1174.24
• IUPAC Name: 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide
• SMILES: CC(C)(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C(F)(F)F.Cn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)nc2Cl)c([Si](C)(C)C)n1.Cn1cc(S(N)(=O)=O)c([Si](C)(C)C)n1
• InChI: InChI=1S/C21H26ClF3N6O4SSi.C14H13ClF3N3O3.C7H15N3O2SSi/c1-20(2,21(23,24)25)12-35-16-9-10-31(27-16)15-8-7-13(17(22)26-15)18(32)29-36(33,34)14-11-30(3)28-19(14)37(4,5)6;1-13(2,14(16,17)18)7-24-10-5-6-21(20-10)9-4-3-8(12(22)23)11(15)19-9;1-10-5-6(13(8,11)12)7(9-10)14(2,3)4/h7-11H,12H2,1-6H3,(H,29,32);3-6H,7H2,1-2H3,(H,22,23);5H,1-4H3,(H2,8,11,12)
• InChIKey: BLIVZRAARKKLMG-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 276.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1176.17
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide?

The IUPAC name of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide (CID 157385222) is 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide.

What is the SMILES notation for 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide?

The canonical SMILES for 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide is CC(C)(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C(F)(F)F.Cn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)nc2Cl)c([Si](C)(C)C)n1.Cn1cc(S(N)(=O)=O)c([Si](C)(C)C)n1.

What is the InChIKey of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide?

The InChIKey is BLIVZRAARKKLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClF3N6O4SSi.C14H13ClF3N3O3.C7H15N3O2SSi/c1-20(2,21(23,24)25)12-35-16-9-10-31(27-16)15-8-7-13(17(22)26-15)18(32)29-36(33,34)14-11-30(3)28-19(14)37(4,5)6;1-13(2,14(16,17)18)7-24-10-5-6-21(20-10)9-4-3-8(12(22)23)11(15)19-9;1-10-5-6(13(8,11)12)7(9-10)14(2,3)4/h7-11H,12H2,1-6H3,(H,29,32);3-6H,7H2,1-2H3,(H,22,23);5H,1-4H3,(H2,8,11,12).

What are the key properties of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide?

2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide has a molecular weight of 1176.17 g/mol, XLogP of 6.48, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;1-methyl-3-trimethylsilylpyrazole-4-sulfonamide is sourced from PubChem (CID 157385222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).