2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))

C110H100F18N18Os3 — CID 157201160

IUPAC2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))
SMILESCc1cc(-c2ccccc2)cnc1-c1[n-]nc(C(F)(F)F)c1C(F)(F)F.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C(F)(F)F)c1C(F)(F)F.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C)c1C.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C)c1C.Cc1ccccc1-c1cnc(-c2[n-]nc(C(F)(F)F)c2C(F)(F)F)cc1C.Cc1ccccc1-c1cnc(-c2[n-]nc(C)c2C)cc1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4]
InChIInChI=1S/C18H12F6N3.C18H18N3.2C17H10F6N3.2C17H16N3.6CH3.3Os/c1-9-5-3-4-6-11(9)12-8-25-13(7-10(12)2)15-14(17(19,20)21)16(27-26-15)18(22,23)24;1-11-7-5-6-8-15(11)16-10-19-17(9-12(16)2)18-13(3)14(4)20-21-18;2*1-9-7-11(10-5-3-2-4-6-10)8-24-13(9)14-12(16(18,19)20)15(26-25-14)17(21,22)23;2*1-11-9-15(14-7-5-4-6-8-14)10-18-16(11)17-12(2)13(3)19-20-17;;;;;;;;;/h3-8H,1-2H3;5-10H,1-4H3;2*2-8H,1H3;2*4-10H,1-3H3;6*1H3;;;/q12*-1;3*+4
InChIKeyCLVUSUSKSCZARO-UHFFFAOYSA-N
MW2586.79 g/mol
LogP29.73
Rot. Bonds12

About 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+)) (PubChem CID 157201160) has the molecular formula C110H100F18N18Os3 and a molecular weight of 2586.79 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+)).

Molecular Properties

Compound Name2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))
PubChem CID157201160
Molecular FormulaC110H100F18N18Os3
Molecular Weight2586.79 g/mol
Exact Mass2590.69
IUPAC Name2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))
SMILESCc1cc(-c2ccccc2)cnc1-c1[n-]nc(C(F)(F)F)c1C(F)(F)F.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C(F)(F)F)c1C(F)(F)F.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C)c1C.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C)c1C.Cc1ccccc1-c1cnc(-c2[n-]nc(C(F)(F)F)c2C(F)(F)F)cc1C.Cc1ccccc1-c1cnc(-c2[n-]nc(C)c2C)cc1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4]
InChIInChI=1S/C18H12F6N3.C18H18N3.2C17H10F6N3.2C17H16N3.6CH3.3Os/c1-9-5-3-4-6-11(9)12-8-25-13(7-10(12)2)15-14(17(19,20)21)16(27-26-15)18(22,23)24;1-11-7-5-6-8-15(11)16-10-19-17(9-12(16)2)18-13(3)14(4)20-21-18;2*1-9-7-11(10-5-3-2-4-6-10)8-24-13(9)14-12(16(18,19)20)15(26-25-14)17(21,22)23;2*1-11-9-15(14-7-5-4-6-8-14)10-18-16(11)17-12(2)13(3)19-20-17;;;;;;;;;/h3-8H,1-2H3;5-10H,1-4H3;2*2-8H,1H3;2*4-10H,1-3H3;6*1H3;;;/q12*-1;3*+4
InChIKeyCLVUSUSKSCZARO-UHFFFAOYSA-N
XLogP29.73
TPSA239.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms149
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002586.79
LogP ≤ 529.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))?
The IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+)) (CID 157201160) is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+)).
What is the SMILES notation for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))?
The canonical SMILES for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+)) is Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C(F)(F)F)c1C(F)(F)F.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C(F)(F)F)c1C(F)(F)F.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C)c1C.Cc1cc(-c2ccccc2)cnc1-c1[n-]nc(C)c1C.Cc1ccccc1-c1cnc(-c2[n-]nc(C(F)(F)F)c2C(F)(F)F)cc1C.Cc1ccccc1-c1cnc(-c2[n-]nc(C)c2C)cc1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4].
What is the InChIKey of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))?
The InChIKey is CLVUSUSKSCZARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N3.C18H18N3.2C17H10F6N3.2C17H16N3.6CH3.3Os/c1-9-5-3-4-6-11(9)12-8-25-13(7-10(12)2)15-14(17(19,20)21)16(27-26-15)18(22,23)24;1-11-7-5-6-8-15(11)16-10-19-17(9-12(16)2)18-13(3)14(4)20-21-18;2*1-9-7-11(10-5-3-2-4-6-10)8-24-13(9)14-12(16(18,19)20)15(26-25-14)17(21,22)23;2*1-11-9-15(14-7-5-4-6-8-14)10-18-16(11)17-12(2)13(3)19-20-17;;;;;;;;;/h3-8H,1-2H3;5-10H,1-4H3;2*2-8H,1H3;2*4-10H,1-3H3;6*1H3;;;/q12*-1;3*+4.
What are the key properties of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))?
2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+)) has a molecular weight of 2586.79 g/mol, XLogP of 29.73, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+)) is sourced from PubChem (CID 157201160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).