dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide

C62H99ClCs2FN22NaO15 — CID 158934206

About dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide

dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide (PubChem CID 158934206) has the molecular formula C62H99ClCs2FN22NaO15 and a molecular weight of 1736.87 g/mol. Its IUPAC name is dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide.

Molecular Properties

• Compound Name: dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide
• PubChem CID: 158934206
• Molecular Formula: C62H99ClCs2FN22NaO15
• Molecular Weight: 1736.87 g/mol
• Exact Mass: 1735.54
• IUPAC Name: dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.CCOC(=O)c1cn(CCN(C)C)nc1OC.CCOC(=O)c1cn[nH]c1OC.CN(C)CCCl.COc1nn(CCN(C)C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(CCN(C)C)cc1C(=O)O.O=CO[O-].[2H]CF.[Cs+].[Cs+].[H-].[Na+].[OH-]
• InChI: InChI=1S/C19H26N8O2.C11H19N3O3.C10H13N5.C9H15N3O3.C7H10N2O3.C4H10ClN.CH3F.CH2O3.2Cs.Na.H2O.H/c1-13(2)27-12-20-23-17(27)15-7-6-8-16(21-15)22-18(28)14-11-26(10-9-25(3)4)24-19(14)29-5;1-5-17-11(15)9-8-14(7-6-13(2)3)12-10(9)16-4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-11(2)4-5-12-6-7(9(13)14)8(10-12)15-3;1-3-12-7(10)5-4-8-9-6(5)11-2;1-6(2)4-3-5;1-2;2-1-4-3;;;;;/h6-8,11-13H,9-10H2,1-5H3,(H,21,22,28);8H,5-7H2,1-4H3;3-7H,1-2H3,(H2,11,13);6H,4-5H2,1-3H3,(H,13,14);4H,3H2,1-2H3,(H,8,9);3-4H2,1-2H3;1H3;1,3H;;;;1H2;/q;;;;;;;;3*+1;;-1/p-2/i;;;;;;1D
• InChIKey: XOHHGYVCWBVARV-KJPPYSQNSA-L
• XLogP: -4.43
• TPSA: 443.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1736.87
LogP ≤ 5	-4.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide?

The IUPAC name of dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide (CID 158934206) is dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide.

What is the SMILES notation for dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide?

The canonical SMILES for dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide is CC(C)n1cnnc1-c1cccc(N)n1.CCOC(=O)c1cn(CCN(C)C)nc1OC.CCOC(=O)c1cn[nH]c1OC.CN(C)CCCl.COc1nn(CCN(C)C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(CCN(C)C)cc1C(=O)O.O=CO[O-].[2H]CF.[Cs+].[Cs+].[H-].[Na+].[OH-].

What is the InChIKey of dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide?

The InChIKey is XOHHGYVCWBVARV-KJPPYSQNSA-L. The full InChI is InChI=1S/C19H26N8O2.C11H19N3O3.C10H13N5.C9H15N3O3.C7H10N2O3.C4H10ClN.CH3F.CH2O3.2Cs.Na.H2O.H/c1-13(2)27-12-20-23-17(27)15-7-6-8-16(21-15)22-18(28)14-11-26(10-9-25(3)4)24-19(14)29-5;1-5-17-11(15)9-8-14(7-6-13(2)3)12-10(9)16-4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-11(2)4-5-12-6-7(9(13)14)8(10-12)15-3;1-3-12-7(10)5-4-8-9-6(5)11-2;1-6(2)4-3-5;1-2;2-1-4-3;;;;;/h6-8,11-13H,9-10H2,1-5H3,(H,21,22,28);8H,5-7H2,1-4H3;3-7H,1-2H3,(H2,11,13);6H,4-5H2,1-3H3,(H,13,14);4H,3H2,1-2H3,(H,8,9);3-4H2,1-2H3;1H3;1,3H;;;;1H2;/q;;;;;;;;3*+1;;-1/p-2/i;;;;;;1D;;;;;;.

What are the key properties of dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide?

dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide has a molecular weight of 1736.87 g/mol, XLogP of -4.43, 27 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;sodium;2-chloro-N,N-dimethylethanamine;deuterio(fluoro)methane;1-[2-(dimethylamino)ethyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[2-(dimethylamino)ethyl]-3-methoxypyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide is sourced from PubChem (CID 158934206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).