2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium

C103H117N10+5 — CID 160996085

IUPAC2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium
SMILESCc1cc(C)cc(-c2c(-c3ccccc3)c3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)C)c1.Cc1cccc2c1-n1c(c(-c3ccccc3)c[n+]1C)C(C)(C)C2(C)C.Cc1cccc2c1-n1c(cc[n+]1C)C(C)(C)C2(C)C.Cc1ccccc1-n1c2ccccc2c[n+]1C.Cc1ccccc1-n1ccc(-c2ccccc2)[n+]1C
InChIInChI=1S/C31H35N2.C23H27N2.C17H23N2.C17H17N2.C15H15N2/c1-20-17-21(2)19-24(18-20)28-26(23-14-10-9-11-15-23)29-31(6,7)30(4,5)25-16-12-13-22(3)27(25)33(29)32(28)8;1-16-11-10-14-19-20(16)25-21(23(4,5)22(19,2)3)18(15-24(25)6)17-12-8-7-9-13-17;1-12-8-7-9-13-15(12)19-14(10-11-18(19)6)17(4,5)16(13,2)3;1-14-8-6-7-11-16(14)19-13-12-17(18(19)2)15-9-4-3-5-10-15;1-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)11-16(17)2/h9-19H,1-8H3;7-15H,1-6H3;7-11H,1-6H3;3-13H,1-2H3;3-11H,1-2H3/q5*+1
InChIKeyNYEZJYUPMBHTQC-UHFFFAOYSA-N
MW1495.14 g/mol
LogP21.20
Rot. Bonds6

About 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium

2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium (PubChem CID 160996085) has the molecular formula C103H117N10+5 and a molecular weight of 1495.14 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium
PubChem CID160996085
Molecular FormulaC103H117N10+5
Molecular Weight1495.14 g/mol
Exact Mass1493.94
IUPAC Name2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium
SMILESCc1cc(C)cc(-c2c(-c3ccccc3)c3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)C)c1.Cc1cccc2c1-n1c(c(-c3ccccc3)c[n+]1C)C(C)(C)C2(C)C.Cc1cccc2c1-n1c(cc[n+]1C)C(C)(C)C2(C)C.Cc1ccccc1-n1c2ccccc2c[n+]1C.Cc1ccccc1-n1ccc(-c2ccccc2)[n+]1C
InChIInChI=1S/C31H35N2.C23H27N2.C17H23N2.C17H17N2.C15H15N2/c1-20-17-21(2)19-24(18-20)28-26(23-14-10-9-11-15-23)29-31(6,7)30(4,5)25-16-12-13-22(3)27(25)33(29)32(28)8;1-16-11-10-14-19-20(16)25-21(23(4,5)22(19,2)3)18(15-24(25)6)17-12-8-7-9-13-17;1-12-8-7-9-13-15(12)19-14(10-11-18(19)6)17(4,5)16(13,2)3;1-14-8-6-7-11-16(14)19-13-12-17(18(19)2)15-9-4-3-5-10-15;1-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)11-16(17)2/h9-19H,1-8H3;7-15H,1-6H3;7-11H,1-6H3;3-13H,1-2H3;3-11H,1-2H3/q5*+1
InChIKeyNYEZJYUPMBHTQC-UHFFFAOYSA-N
XLogP21.20
TPSA44.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001495.14
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium with MolForge

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Related Compounds

2-(3,5-dimethylphenyl)-1,5,9-trimethyl-3-phenyl-4,4,5-tris(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium
CID 159338560
1,4,9-trimethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-3-phenyl-4,5,5-tris(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium
CID 160732230
8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,5-trimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyrazolidine
CID 162285426
2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium;3-(2,6-dimethylphenyl)-1,5,5,9-tetramethyl-4,4-bis(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-phenyl-4-(trideuteriomethyl)pyrazolo[1,5-a]quinolin-1-ium
CID 157485568
8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 162285411
2-methyl-1-(2-methylphenyl)-3-[3-methyl-5-(trideuteriomethyl)phenyl]-4-phenylpyrazol-2-ium
CID 158994181
2-(3,5-dimethylphenyl)-1,4,9-trimethyl-4,5,5-tris(trideuteriomethyl)-[1,2,4]triazolo[1,5-a]quinolin-1-ium;bis(1,2,4,9-tetramethyl-4,5,5-tris(trideuteriomethyl)-[1,2,4]triazolo[1,5-a]quinolin-1-ium);1,4,9-trimethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4,5,5-tris(trideuteriomethyl)-[1,2,4]triazolo[1,5-a]quinolin-1-ium;1,4,9-trimethyl-2-phenyl-4,5,5-tris(trideuteriomethyl)-[1,2,4]triazolo[1,5-a]quinolin-1-ium
CID 158767026
2-(3,5-dimethylphenyl)-4-ethyl-1,4,5,5,9-pentamethylpyrazolo[1,5-a]quinolin-1-ium
CID 157063109
1,4,4,5,5,9-hexamethyl-3-phenylpyrrolo[1,2-a]quinoline
CID 164734136
2-(3,5-dimethylphenyl)-1,5,9-trimethyl-4,4,5-tris(trideuteriomethyl)-[1,2,4]triazolo[1,5-a]quinolin-1-ium;4-ethyl-1,4,5,5,9-pentamethyl-[1,2,4]triazolo[1,5-a]quinolin-1-ium;1,5,9-trimethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4,4,5-tris(trideuteriomethyl)-[1,2,4]triazolo[1,5-a]quinolin-1-ium;1,5,9-trimethyl-2-phenyl-4,4,5-tris(trideuteriomethyl)-[1,2,4]triazolo[1,5-a]quinolin-1-ium
CID 159083187
(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 161154499
4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline
CID 170539418

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium?
The IUPAC name of 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium (CID 160996085) is 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium is Cc1cc(C)cc(-c2c(-c3ccccc3)c3n([n+]2C)-c2c(C)cccc2C(C)(C)C3(C)C)c1.Cc1cccc2c1-n1c(c(-c3ccccc3)c[n+]1C)C(C)(C)C2(C)C.Cc1cccc2c1-n1c(cc[n+]1C)C(C)(C)C2(C)C.Cc1ccccc1-n1c2ccccc2c[n+]1C.Cc1ccccc1-n1ccc(-c2ccccc2)[n+]1C.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium?
The InChIKey is NYEZJYUPMBHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N2.C23H27N2.C17H23N2.C17H17N2.C15H15N2/c1-20-17-21(2)19-24(18-20)28-26(23-14-10-9-11-15-23)29-31(6,7)30(4,5)25-16-12-13-22(3)27(25)33(29)32(28)8;1-16-11-10-14-19-20(16)25-21(23(4,5)22(19,2)3)18(15-24(25)6)17-12-8-7-9-13-17;1-12-8-7-9-13-15(12)19-14(10-11-18(19)6)17(4,5)16(13,2)3;1-14-8-6-7-11-16(14)19-13-12-17(18(19)2)15-9-4-3-5-10-15;1-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)11-16(17)2/h9-19H,1-8H3;7-15H,1-6H3;7-11H,1-6H3;3-13H,1-2H3;3-11H,1-2H3/q5*+1.
What are the key properties of 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium?
2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium has a molecular weight of 1495.14 g/mol, XLogP of 21.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-3-phenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethylpyrazolo[1,5-a]quinolin-1-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)-3-phenylpyrazol-2-ium is sourced from PubChem (CID 160996085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).