lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide

C121H142BBr3LiN24O27+ — CID 164986713

About lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide

lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide (PubChem CID 164986713) has the molecular formula C121H142BBr3LiN24O27+ and a molecular weight of 2622.07 g/mol. Its IUPAC name is lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide
• PubChem CID: 164986713
• Molecular Formula: C121H142BBr3LiN24O27+
• Molecular Weight: 2622.07 g/mol
• Exact Mass: 2617.83
• IUPAC Name: lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide
• SMILES: C=C1N=[N+](C2CCCCO2)C(Br)=C1C(=O)OCC.CCOC(=O)c1c(Br)n[nH]c1C.CCOC(=O)c1c(C)nn(C2CCCCO2)c1Br.CCOC(=O)c1cn[nH]c1C.COC(=O)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1.COC(=O)c1ccc2[nH]c(=O)c3c(C)nn(C4CCCCO4)c3c2c1.COC(=O)c1ccc2nc(N)c3c(C)[nH]nc3c2c1.COC(=O)c1ccc2nc(NCc3ccc(OC)cc3)c3c(C)nn(C4CCCCO4)c3c2c1.Cc1[nH]nc2c1c(N)nc1ccc(C(=O)O)cc12.[Li+].[OH-]
• InChI: InChI=1S/C26H28N4O4.C18H19N3O4.C14H20BNO4.C13H12N4O2.C12H17BrN2O3.C12H16BrN2O3.C12H10N4O2.C7H9BrN2O2.C7H10N2O2.Li.H2O/c1-16-23-24(30(29-16)22-6-4-5-13-34-22)20-14-18(26(31)33-3)9-12-21(20)28-25(23)27-15-17-7-10-19(32-2)11-8-17;1-10-15-16(21(20-10)14-5-3-4-8-25-14)12-9-11(18(23)24-2)6-7-13(12)19-17(15)22;1-13(2)14(3,4)20-15(19-13)10-8-9(12(17)18-5)6-7-11(10)16;1-6-10-11(17-16-6)8-5-7(13(18)19-2)3-4-9(8)15-12(10)14;2*1-3-17-12(16)10-8(2)14-15(11(10)13)9-6-4-5-7-18-9;1-5-9-10(16-15-5)7-4-6(12(17)18)2-3-8(7)14-11(9)13;1-3-12-7(11)5-4(2)9-10-6(5)8;1-3-11-7(10)6-4-8-9-5(6)2;;/h7-12,14,22H,4-6,13,15H2,1-3H3,(H,27,28);6-7,9,14H,3-5,8H2,1-2H3,(H,19,22);6-8H,16H2,1-5H3;3-5H,1-2H3,(H2,14,15)(H,16,17);9H,3-7H2,1-2H3;9H,2-7H2,1H3;2-4H,1H3,(H2,13,14)(H,15,16)(H,17,18);3H2,1-2H3,(H,9,10);4H,3H2,1-2H3,(H,8,9);;1H2/q;;;;;+1;;;;+1;/p-1
• InChIKey: GGQFIHFSWXKWPG-UHFFFAOYSA-M
• XLogP: 17.40
• TPSA: 687.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 22
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.07
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide?

The IUPAC name of lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide (CID 164986713) is lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide.

What is the SMILES notation for lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide?

The canonical SMILES for lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide is C=C1N=[N+](C2CCCCO2)C(Br)=C1C(=O)OCC.CCOC(=O)c1c(Br)n[nH]c1C.CCOC(=O)c1c(C)nn(C2CCCCO2)c1Br.CCOC(=O)c1cn[nH]c1C.COC(=O)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1.COC(=O)c1ccc2[nH]c(=O)c3c(C)nn(C4CCCCO4)c3c2c1.COC(=O)c1ccc2nc(N)c3c(C)[nH]nc3c2c1.COC(=O)c1ccc2nc(NCc3ccc(OC)cc3)c3c(C)nn(C4CCCCO4)c3c2c1.Cc1[nH]nc2c1c(N)nc1ccc(C(=O)O)cc12.[Li+].[OH-].

What is the InChIKey of lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide?

The InChIKey is GGQFIHFSWXKWPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H28N4O4.C18H19N3O4.C14H20BNO4.C13H12N4O2.C12H17BrN2O3.C12H16BrN2O3.C12H10N4O2.C7H9BrN2O2.C7H10N2O2.Li.H2O/c1-16-23-24(30(29-16)22-6-4-5-13-34-22)20-14-18(26(31)33-3)9-12-21(20)28-25(23)27-15-17-7-10-19(32-2)11-8-17;1-10-15-16(21(20-10)14-5-3-4-8-25-14)12-9-11(18(23)24-2)6-7-13(12)19-17(15)22;1-13(2)14(3,4)20-15(19-13)10-8-9(12(17)18-5)6-7-11(10)16;1-6-10-11(17-16-6)8-5-7(13(18)19-2)3-4-9(8)15-12(10)14;2*1-3-17-12(16)10-8(2)14-15(11(10)13)9-6-4-5-7-18-9;1-5-9-10(16-15-5)7-4-6(12(17)18)2-3-8(7)14-11(9)13;1-3-12-7(11)5-4(2)9-10-6(5)8;1-3-11-7(10)6-4-8-9-5(6)2;;/h7-12,14,22H,4-6,13,15H2,1-3H3,(H,27,28);6-7,9,14H,3-5,8H2,1-2H3,(H,19,22);6-8H,16H2,1-5H3;3-5H,1-2H3,(H2,14,15)(H,16,17);9H,3-7H2,1-2H3;9H,2-7H2,1H3;2-4H,1H3,(H2,13,14)(H,15,16)(H,17,18);3H2,1-2H3,(H,9,10);4H,3H2,1-2H3,(H,8,9);;1H2/q;;;;;+1;;;;+1;/p-1.

What are the key properties of lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide?

lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide has a molecular weight of 2622.07 g/mol, XLogP of 17.40, 22 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;ethyl 5-bromo-3-methylidene-1-(oxan-2-yl)pyrazol-1-ium-4-carboxylate;ethyl 5-bromo-3-methyl-1-(oxan-2-yl)pyrazole-4-carboxylate;ethyl 3-bromo-5-methyl-1H-pyrazole-4-carboxylate;ethyl 5-methyl-1H-pyrazole-4-carboxylate;methyl 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylate;methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;methyl 4-[(4-methoxyphenyl)methylamino]-3-methyl-1-(oxan-2-yl)pyrazolo[4,5-c]quinoline-8-carboxylate;methyl 3-methyl-1-(oxan-2-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylate;hydroxide is sourced from PubChem (CID 164986713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).