5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum

C143H207N16O6Pt7+ — CID 159199911

IUPAC5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum
SMILESCCC(C)(C)c1c(-c2ccccc2)c(C(C)(C)C)nn1C(C)C.CCC(C)c1c(-c2ccccc2)c(C(C)(C)C)nn1C(C)C.CCC(C)c1c(-c2ccccc2)c(OC)[n+](C)n1C(C)C.CCCCc1c(-c2ccccc2)c(OC)nn1C(C)C.CCCc1c(-c2ccccc2)c(OC)nn1C(C)C.COc1nn(C(C)C)c(C(C)(C)C)c1-c1ccccc1.COc1nn(C(C)C)c(C(C)C(C)C)c1-c1ccccc1.COc1nn(C(C)C)c(C(C)C)c1-c1ccccc1.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C21H32N2.C20H30N2.C18H26N2O.C18H27N2O.2C17H24N2O.2C16H22N2O.7Pt/c1-9-21(7,8)19-17(16-13-11-10-12-14-16)18(20(4,5)6)22-23(19)15(2)3;1-8-15(4)18-17(16-12-10-9-11-13-16)19(20(5,6)7)21-22(18)14(2)3;1-12(2)14(5)17-16(15-10-8-7-9-11-15)18(21-6)19-20(17)13(3)4;1-7-14(4)17-16(15-11-9-8-10-12-15)18(21-6)19(5)20(17)13(2)3;1-12(2)19-15(17(3,4)5)14(16(18-19)20-6)13-10-8-7-9-11-13;1-5-6-12-15-16(14-10-8-7-9-11-14)17(20-4)18-19(15)13(2)3;1-11(2)15-14(13-9-7-6-8-10-13)16(19-5)17-18(15)12(3)4;1-5-9-14-15(13-10-7-6-8-11-13)16(19-4)17-18(14)12(2)3;;;;;;;/h10-15H,9H2,1-8H3;9-15H,8H2,1-7H3;7-14H,1-6H3;8-14H,7H2,1-6H3;7-12H,1-6H3;7-11,13H,5-6,12H2,1-4H3;6-12H,1-5H3;6-8,10-12H,5,9H2,1-4H3;;;;;;;/q;;;+1;;;;;;;;;;;
InChIKeyYZZDOLZFARMYMJ-UHFFFAOYSA-N
MW3611.88 g/mol
LogP38.30
Rot. Bonds36

About 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum

5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum (PubChem CID 159199911) has the molecular formula C143H207N16O6Pt7+ and a molecular weight of 3611.88 g/mol. Its IUPAC name is 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum.

Molecular Properties

Compound Name5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum
PubChem CID159199911
Molecular FormulaC143H207N16O6Pt7+
Molecular Weight3611.88 g/mol
Exact Mass3609.39
IUPAC Name5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum
SMILESCCC(C)(C)c1c(-c2ccccc2)c(C(C)(C)C)nn1C(C)C.CCC(C)c1c(-c2ccccc2)c(C(C)(C)C)nn1C(C)C.CCC(C)c1c(-c2ccccc2)c(OC)[n+](C)n1C(C)C.CCCCc1c(-c2ccccc2)c(OC)nn1C(C)C.CCCc1c(-c2ccccc2)c(OC)nn1C(C)C.COc1nn(C(C)C)c(C(C)(C)C)c1-c1ccccc1.COc1nn(C(C)C)c(C(C)C(C)C)c1-c1ccccc1.COc1nn(C(C)C)c(C(C)C)c1-c1ccccc1.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C21H32N2.C20H30N2.C18H26N2O.C18H27N2O.2C17H24N2O.2C16H22N2O.7Pt/c1-9-21(7,8)19-17(16-13-11-10-12-14-16)18(20(4,5)6)22-23(19)15(2)3;1-8-15(4)18-17(16-12-10-9-11-13-16)19(20(5,6)7)21-22(18)14(2)3;1-12(2)14(5)17-16(15-10-8-7-9-11-15)18(21-6)19-20(17)13(3)4;1-7-14(4)17-16(15-11-9-8-10-12-15)18(21-6)19(5)20(17)13(2)3;1-12(2)19-15(17(3,4)5)14(16(18-19)20-6)13-10-8-7-9-11-13;1-5-6-12-15-16(14-10-8-7-9-11-14)17(20-4)18-19(15)13(2)3;1-11(2)15-14(13-9-7-6-8-10-13)16(19-5)17-18(15)12(3)4;1-5-9-14-15(13-10-7-6-8-11-13)16(19-4)17-18(14)12(2)3;;;;;;;/h10-15H,9H2,1-8H3;9-15H,8H2,1-7H3;7-14H,1-6H3;8-14H,7H2,1-6H3;7-12H,1-6H3;7-11,13H,5-6,12H2,1-4H3;6-12H,1-5H3;6-8,10-12H,5,9H2,1-4H3;;;;;;;/q;;;+1;;;;;;;;;;;
InChIKeyYZZDOLZFARMYMJ-UHFFFAOYSA-N
XLogP38.30
TPSA188.93 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003611.88
LogP ≤ 538.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum?
The IUPAC name of 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum (CID 159199911) is 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum.
What is the SMILES notation for 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum?
The canonical SMILES for 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum is CCC(C)(C)c1c(-c2ccccc2)c(C(C)(C)C)nn1C(C)C.CCC(C)c1c(-c2ccccc2)c(C(C)(C)C)nn1C(C)C.CCC(C)c1c(-c2ccccc2)c(OC)[n+](C)n1C(C)C.CCCCc1c(-c2ccccc2)c(OC)nn1C(C)C.CCCc1c(-c2ccccc2)c(OC)nn1C(C)C.COc1nn(C(C)C)c(C(C)(C)C)c1-c1ccccc1.COc1nn(C(C)C)c(C(C)C(C)C)c1-c1ccccc1.COc1nn(C(C)C)c(C(C)C)c1-c1ccccc1.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum?
The InChIKey is YZZDOLZFARMYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2.C20H30N2.C18H26N2O.C18H27N2O.2C17H24N2O.2C16H22N2O.7Pt/c1-9-21(7,8)19-17(16-13-11-10-12-14-16)18(20(4,5)6)22-23(19)15(2)3;1-8-15(4)18-17(16-12-10-9-11-13-16)19(20(5,6)7)21-22(18)14(2)3;1-12(2)14(5)17-16(15-10-8-7-9-11-15)18(21-6)19-20(17)13(3)4;1-7-14(4)17-16(15-11-9-8-10-12-15)18(21-6)19(5)20(17)13(2)3;1-12(2)19-15(17(3,4)5)14(16(18-19)20-6)13-10-8-7-9-11-13;1-5-6-12-15-16(14-10-8-7-9-11-14)17(20-4)18-19(15)13(2)3;1-11(2)15-14(13-9-7-6-8-10-13)16(19-5)17-18(15)12(3)4;1-5-9-14-15(13-10-7-6-8-11-13)16(19-4)17-18(14)12(2)3;;;;;;;/h10-15H,9H2,1-8H3;9-15H,8H2,1-7H3;7-14H,1-6H3;8-14H,7H2,1-6H3;7-12H,1-6H3;7-11,13H,5-6,12H2,1-4H3;6-12H,1-5H3;6-8,10-12H,5,9H2,1-4H3;;;;;;;/q;;;+1;;;;;;;;;;;.
What are the key properties of 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum?
5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum has a molecular weight of 3611.88 g/mol, XLogP of 38.30, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-tert-butyl-4-phenyl-1-propan-2-ylpyrazole;5-butan-2-yl-3-methoxy-2-methyl-4-phenyl-1-propan-2-ylpyrazol-2-ium;5-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole;3-tert-butyl-5-(2-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;3-methoxy-4-phenyl-1,5-di(propan-2-yl)pyrazole;3-methoxy-4-phenyl-1-propan-2-yl-5-propylpyrazole;platinum is sourced from PubChem (CID 159199911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).