lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide

C74H69Cl5F15LiN15O11P — CID 158128969

About lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide

lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide (PubChem CID 158128969) has the molecular formula C74H69Cl5F15LiN15O11P and a molecular weight of 1844.61 g/mol. Its IUPAC name is lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide.

Molecular Properties

• Compound Name: lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide
• PubChem CID: 158128969
• Molecular Formula: C74H69Cl5F15LiN15O11P
• Molecular Weight: 1844.61 g/mol
• Exact Mass: 1841.34
• IUPAC Name: lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide
• SMILES: C.CC(=O)CC#N.CCC(=CNc1cc(C)nn1-c1ccc(C(F)(F)F)cc1)CC.CCc1cnc2c(c(C)nn2-c2ccc(C(F)(F)F)cc2)c1Cl.Cc1cc(N)n(-c2ccc(C(F)(F)F)cc2)n1.Cc1nn(-c2ccc(C(F)(F)F)cc2)c2nccc(Cl)c12.NNc1ccc(C(F)(F)F)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
• InChI: InChI=1S/C17H20F3N3.C16H13ClF3N3.C14H9ClF3N3.C11H10F3N3.C7H7F3N2.C4H5NO.4CO2.CH4.Cl3OP.Li.H2O/c1-4-13(5-2)11-21-16-10-12(3)22-23(16)15-8-6-14(7-9-15)17(18,19)20;1-3-10-8-21-15-13(14(10)17)9(2)22-23(15)12-6-4-11(5-7-12)16(18,19)20;1-8-12-11(15)6-7-19-13(12)21(20-8)10-4-2-9(3-5-10)14(16,17)18;1-7-6-10(15)17(16-7)9-4-2-8(3-5-9)11(12,13)14;8-7(9,10)5-1-3-6(12-11)4-2-5;1-4(6)2-3-5;4*2-1-3;;1-5(2,3)4;;/h6-11,21H,4-5H2,1-3H3;4-8H,3H2,1-2H3;2-7H,1H3;2-6H,15H2,1H3;1-4,12H,11H2;2H2,1H3;;;;;1H4;;;1H2/q;;;;;;;;;;;;+1;/p-1
• InChIKey: FSNMRQLJNFDCEL-UHFFFAOYSA-M
• XLogP: 17.88
• TPSA: 397.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.61
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide?

The IUPAC name of lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide (CID 158128969) is lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide.

What is the SMILES notation for lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide?

The canonical SMILES for lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide is C.CC(=O)CC#N.CCC(=CNc1cc(C)nn1-c1ccc(C(F)(F)F)cc1)CC.CCc1cnc2c(c(C)nn2-c2ccc(C(F)(F)F)cc2)c1Cl.Cc1cc(N)n(-c2ccc(C(F)(F)F)cc2)n1.Cc1nn(-c2ccc(C(F)(F)F)cc2)c2nccc(Cl)c12.NNc1ccc(C(F)(F)F)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-].

What is the InChIKey of lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide?

The InChIKey is FSNMRQLJNFDCEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20F3N3.C16H13ClF3N3.C14H9ClF3N3.C11H10F3N3.C7H7F3N2.C4H5NO.4CO2.CH4.Cl3OP.Li.H2O/c1-4-13(5-2)11-21-16-10-12(3)22-23(16)15-8-6-14(7-9-15)17(18,19)20;1-3-10-8-21-15-13(14(10)17)9(2)22-23(15)12-6-4-11(5-7-12)16(18,19)20;1-8-12-11(15)6-7-19-13(12)21(20-8)10-4-2-9(3-5-10)14(16,17)18;1-7-6-10(15)17(16-7)9-4-2-8(3-5-9)11(12,13)14;8-7(9,10)5-1-3-6(12-11)4-2-5;1-4(6)2-3-5;4*2-1-3;;1-5(2,3)4;;/h6-11,21H,4-5H2,1-3H3;4-8H,3H2,1-2H3;2-7H,1H3;2-6H,15H2,1H3;1-4,12H,11H2;2H2,1H3;;;;;1H4;;;1H2/q;;;;;;;;;;;;+1;/p-1.

What are the key properties of lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide?

lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide has a molecular weight of 1844.61 g/mol, XLogP of 17.88, 11 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide is sourced from PubChem (CID 158128969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).