lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide

C72H103ArCl7LiN20O20PS — CID 159424605

About lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide

lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide (PubChem CID 159424605) has the molecular formula C72H103ArCl7LiN20O20PS and a molecular weight of 1926.84 g/mol. Its IUPAC name is lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide.

Molecular Properties

• Compound Name: lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide
• PubChem CID: 159424605
• Molecular Formula: C72H103ArCl7LiN20O20PS
• Molecular Weight: 1926.84 g/mol
• Exact Mass: 1922.47
• IUPAC Name: lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide
• SMILES: C.C/C=C(\CC)C(=O)OCC.CCC(=CNc1cc(CC)nn1C)CC.CCC(=O)CC#N.CCc1cc(N)n(C)n1.CCc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.CCc1nn(C)c2nccc(Cl)c12.CCc1nn(C)c2nccc(Cl)c12.CNN.N.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.O=S(=O)(O)O.[Ar].[Li+].[OH-]
• InChI: InChI=1S/C16H14Cl2N4O.C12H21N3.2C9H10ClN3.C8H14O2.C6H11N3.C5H7NO.CH6N2.5CO2.CH4.Ar.Cl3OP.Li.H3N.H2O4S.H2O/c1-3-12-13-14(18)11(8-19-15(13)22(2)21-12)16(23)20-10-6-4-9(17)5-7-10;1-5-10(6-2)9-13-12-8-11(7-3)14-15(12)4;2*1-3-7-8-6(10)4-5-11-9(8)13(2)12-7;1-4-7(5-2)8(9)10-6-3;1-3-5-4-6(7)9(2)8-5;1-2-5(7)3-4-6;1-3-2;5*2-1-3;;;1-5(2,3)4;;;1-5(2,3)4;/h4-8H,3H2,1-2H3,(H,20,23);8-9,13H,5-7H2,1-4H3;2*4-5H,3H2,1-2H3;4H,5-6H2,1-3H3;4H,3,7H2,1-2H3;2-3H2,1H3;3H,2H2,1H3;;;;;;1H4;;;;1H3;(H2,1,2,3,4);1H2/q;;;;;;;;;;;;;;;;+1;;;/p-1/b;;;;7-4+
• InChIKey: SLNQTNWOPRKPSY-HWPDBPTHSA-M
• XLogP: 10.85
• TPSA: 627.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.84
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide?

The IUPAC name of lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide (CID 159424605) is lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide.

What is the SMILES notation for lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide?

The canonical SMILES for lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide is C.C/C=C(\CC)C(=O)OCC.CCC(=CNc1cc(CC)nn1C)CC.CCC(=O)CC#N.CCc1cc(N)n(C)n1.CCc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.CCc1nn(C)c2nccc(Cl)c12.CCc1nn(C)c2nccc(Cl)c12.CNN.N.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.O=S(=O)(O)O.[Ar].[Li+].[OH-].

What is the InChIKey of lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide?

The InChIKey is SLNQTNWOPRKPSY-HWPDBPTHSA-M. The full InChI is InChI=1S/C16H14Cl2N4O.C12H21N3.2C9H10ClN3.C8H14O2.C6H11N3.C5H7NO.CH6N2.5CO2.CH4.Ar.Cl3OP.Li.H3N.H2O4S.H2O/c1-3-12-13-14(18)11(8-19-15(13)22(2)21-12)16(23)20-10-6-4-9(17)5-7-10;1-5-10(6-2)9-13-12-8-11(7-3)14-15(12)4;2*1-3-7-8-6(10)4-5-11-9(8)13(2)12-7;1-4-7(5-2)8(9)10-6-3;1-3-5-4-6(7)9(2)8-5;1-2-5(7)3-4-6;1-3-2;5*2-1-3;;;1-5(2,3)4;;;1-5(2,3)4;/h4-8H,3H2,1-2H3,(H,20,23);8-9,13H,5-7H2,1-4H3;2*4-5H,3H2,1-2H3;4H,5-6H2,1-3H3;4H,3,7H2,1-2H3;2-3H2,1H3;3H,2H2,1H3;;;;;;1H4;;;;1H3;(H2,1,2,3,4);1H2/q;;;;;;;;;;;;;;;;+1;;;/p-1/b;;;;7-4+;;;;;;;;;;;;;;;.

What are the key properties of lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide?

lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide has a molecular weight of 1926.84 g/mol, XLogP of 10.85, 16 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;argon;azane;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-ethyl-1-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;3-ethyl-N-(2-ethylbut-1-enyl)-1-methylpyrazol-5-amine;3-ethyl-1-methylpyrazol-5-amine;methane;methylhydrazine;3-oxopentanenitrile;phosphoryl trichloride;sulfuric acid;hydroxide is sourced from PubChem (CID 159424605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).