dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

C81H126Br3Cs2FN24O22 — CID 157297911

About dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 157297911) has the molecular formula C81H126Br3Cs2FN24O22 and a molecular weight of 2313.57 g/mol. Its IUPAC name is dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• PubChem CID: 157297911
• Molecular Formula: C81H126Br3Cs2FN24O22
• Molecular Weight: 2313.57 g/mol
• Exact Mass: 2309.52
• IUPAC Name: dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• SMILES: BrCCBr.C1COCCN1.CC(C)n1cnnc1-c1cccc(N)n1.CCO.CCOC(=O)c1cn(CCBr)nc1OC.CCOC(=O)c1cn(CCN2CCOCC2)nc1OC.CCOC(=O)c1cn[nH]c1OC.COc1nn(CCN2CCOCC2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(CCN2CCOCC2)cc1C(=O)O.O=CO[O-].[2H]CF.[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C21H28N8O3.C13H21N3O4.C11H17N3O4.C10H13N5.C9H13BrN2O3.C7H10N2O3.C4H9NO.C2H4Br2.C2H6O.CH3F.CH2O3.2Cs.H/c1-15(2)29-14-22-25-19(29)17-5-4-6-18(23-17)24-20(30)16-13-28(26-21(16)31-3)8-7-27-9-11-32-12-10-27;1-3-20-13(17)11-10-16(14-12(11)18-2)5-4-15-6-8-19-9-7-15;1-17-10-9(11(15)16)8-14(12-10)3-2-13-4-6-18-7-5-13;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-3-15-9(13)7-6-12(5-4-10)11-8(7)14-2;1-3-12-7(10)5-4-8-9-6(5)11-2;1-3-6-4-2-5-1;3-1-2-4;1-2-3;1-2;2-1-4-3;;;/h4-6,13-15H,7-12H2,1-3H3,(H,23,24,30);10H,3-9H2,1-2H3;8H,2-7H2,1H3,(H,15,16);3-7H,1-2H3,(H2,11,13);6H,3-5H2,1-2H3;4H,3H2,1-2H3,(H,8,9);5H,1-4H2;1-2H2;3H,2H2,1H3;1H3;1,3H;;;/q;;;;;;;;;;;2*+1;-1/p-1/i;;;;;;;;;1D
• InChIKey: MKSXGSHWZCFFGZ-CWRVZGQUSA-M
• XLogP: 0.12
• TPSA: 532.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.57
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The IUPAC name of dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 157297911) is dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

What is the SMILES notation for dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The canonical SMILES for dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is BrCCBr.C1COCCN1.CC(C)n1cnnc1-c1cccc(N)n1.CCO.CCOC(=O)c1cn(CCBr)nc1OC.CCOC(=O)c1cn(CCN2CCOCC2)nc1OC.CCOC(=O)c1cn[nH]c1OC.COc1nn(CCN2CCOCC2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(CCN2CCOCC2)cc1C(=O)O.O=CO[O-].[2H]CF.[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The InChIKey is MKSXGSHWZCFFGZ-CWRVZGQUSA-M. The full InChI is InChI=1S/C21H28N8O3.C13H21N3O4.C11H17N3O4.C10H13N5.C9H13BrN2O3.C7H10N2O3.C4H9NO.C2H4Br2.C2H6O.CH3F.CH2O3.2Cs.H/c1-15(2)29-14-22-25-19(29)17-5-4-6-18(23-17)24-20(30)16-13-28(26-21(16)31-3)8-7-27-9-11-32-12-10-27;1-3-20-13(17)11-10-16(14-12(11)18-2)5-4-15-6-8-19-9-7-15;1-17-10-9(11(15)16)8-14(12-10)3-2-13-4-6-18-7-5-13;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-3-15-9(13)7-6-12(5-4-10)11-8(7)14-2;1-3-12-7(10)5-4-8-9-6(5)11-2;1-3-6-4-2-5-1;3-1-2-4;1-2-3;1-2;2-1-4-3;;;/h4-6,13-15H,7-12H2,1-3H3,(H,23,24,30);10H,3-9H2,1-2H3;8H,2-7H2,1H3,(H,15,16);3-7H,1-2H3,(H2,11,13);6H,3-5H2,1-2H3;4H,3H2,1-2H3,(H,8,9);5H,1-4H2;1-2H2;3H,2H2,1H3;1H3;1,3H;;;/q;;;;;;;;;;;2*+1;-1/p-1/i;;;;;;;;;1D;;;;.

What are the key properties of dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 2313.57 g/mol, XLogP of 0.12, 31 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;deuterio(fluoro)methane;1,2-dibromoethane;ethanol;ethyl 1-(2-bromoethyl)-3-methoxypyrazole-4-carboxylate;ethyl 3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;hydride;3-methoxy-1-(2-morpholin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylic acid;morpholine;oxido formate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 157297911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).