2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C126H166FN14O+3 — CID 157351767

IUPAC2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc(-c2c[nH][n+](CCO)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2F)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cnn3c2CCCC3)cc1.CCCC[n+]1cc(-c2ccc(C(C)(C)C)cc2)c[nH]1.CN(C)CC[n+]1cc(-c2ccc(C(C)(C)C)cc2)c[nH]1.Cc1c(-c2ccc(C(C)(C)C)cc2)cnn1C.Cn1ccc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H25N3.C17H22N2.C17H24N2.C16H17F.C15H20N2O.C15H20N2.C15H17N.C14H18N2/c1-17(2,3)16-8-6-14(7-9-16)15-12-18-20(13-15)11-10-19(4)5;1-17(2,3)14-9-7-13(8-10-14)15-12-18-19-11-5-4-6-16(15)19;1-5-6-11-19-13-15(12-18-19)14-7-9-16(10-8-14)17(2,3)4;1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17;1-15(2,3)14-6-4-12(5-7-14)13-10-16-17(11-13)8-9-18;1-11-14(10-16-17(11)5)12-6-8-13(9-7-12)15(2,3)4;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-14(2,3)12-7-5-11(6-8-12)13-9-10-16(4)15-13/h6-9,12-13H,10-11H2,1-5H3;7-10,12H,4-6,11H2,1-3H3;7-10,12-13H,5-6,11H2,1-4H3;4-11H,1-3H3;4-7,10-11,18H,8-9H2,1-3H3;6-10H,1-5H3;4-11H,1-3H3;5-10H,1-4H3/p+3
InChIKeyFVVDIMWJVWGOGV-UHFFFAOYSA-Q
MW1911.81 g/mol
LogP29.25
Rot. Bonds16

About 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 157351767) has the molecular formula C126H166FN14O+3 and a molecular weight of 1911.81 g/mol. Its IUPAC name is 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID157351767
Molecular FormulaC126H166FN14O+3
Molecular Weight1911.81 g/mol
Exact Mass1910.33
IUPAC Name2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc(-c2c[nH][n+](CCO)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2F)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cnn3c2CCCC3)cc1.CCCC[n+]1cc(-c2ccc(C(C)(C)C)cc2)c[nH]1.CN(C)CC[n+]1cc(-c2ccc(C(C)(C)C)cc2)c[nH]1.Cc1c(-c2ccc(C(C)(C)C)cc2)cnn1C.Cn1ccc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H25N3.C17H22N2.C17H24N2.C16H17F.C15H20N2O.C15H20N2.C15H17N.C14H18N2/c1-17(2,3)16-8-6-14(7-9-16)15-12-18-20(13-15)11-10-19(4)5;1-17(2,3)14-9-7-13(8-10-14)15-12-18-19-11-5-4-6-16(15)19;1-5-6-11-19-13-15(12-18-19)14-7-9-16(10-8-14)17(2,3)4;1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17;1-15(2,3)14-6-4-12(5-7-14)13-10-16-17(11-13)8-9-18;1-11-14(10-16-17(11)5)12-6-8-13(9-7-12)15(2,3)4;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-14(2,3)12-7-5-11(6-8-12)13-9-10-16(4)15-13/h6-9,12-13H,10-11H2,1-5H3;7-10,12H,4-6,11H2,1-3H3;7-10,12-13H,5-6,11H2,1-4H3;4-11H,1-3H3;4-7,10-11,18H,8-9H2,1-3H3;6-10H,1-5H3;4-11H,1-3H3;5-10H,1-4H3/p+3
InChIKeyFVVDIMWJVWGOGV-UHFFFAOYSA-Q
XLogP29.25
TPSA148.83 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001911.81
LogP ≤ 529.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 157351767) is 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)(C)c1ccc(-c2c[nH][n+](CCO)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2F)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cnn3c2CCCC3)cc1.CCCC[n+]1cc(-c2ccc(C(C)(C)C)cc2)c[nH]1.CN(C)CC[n+]1cc(-c2ccc(C(C)(C)C)cc2)c[nH]1.Cc1c(-c2ccc(C(C)(C)C)cc2)cnn1C.Cn1ccc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is FVVDIMWJVWGOGV-UHFFFAOYSA-Q. The full InChI is InChI=1S/C17H25N3.C17H22N2.C17H24N2.C16H17F.C15H20N2O.C15H20N2.C15H17N.C14H18N2/c1-17(2,3)16-8-6-14(7-9-16)15-12-18-20(13-15)11-10-19(4)5;1-17(2,3)14-9-7-13(8-10-14)15-12-18-19-11-5-4-6-16(15)19;1-5-6-11-19-13-15(12-18-19)14-7-9-16(10-8-14)17(2,3)4;1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17;1-15(2,3)14-6-4-12(5-7-14)13-10-16-17(11-13)8-9-18;1-11-14(10-16-17(11)5)12-6-8-13(9-7-12)15(2,3)4;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-14(2,3)12-7-5-11(6-8-12)13-9-10-16(4)15-13/h6-9,12-13H,10-11H2,1-5H3;7-10,12H,4-6,11H2,1-3H3;7-10,12-13H,5-6,11H2,1-4H3;4-11H,1-3H3;4-7,10-11,18H,8-9H2,1-3H3;6-10H,1-5H3;4-11H,1-3H3;5-10H,1-4H3/p+3.
What are the key properties of 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 1911.81 g/mol, XLogP of 29.25, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(4-tert-butylphenyl)-1H-pyrazol-2-ium;1-tert-butyl-4-(2-fluorophenyl)benzene;4-(4-tert-butylphenyl)-1,5-dimethylpyrazole;3-(4-tert-butylphenyl)-1-methylpyrazole;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)-1H-pyrazol-2-ium-2-yl]ethanol;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157351767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).