3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole

C187H274N20OPd10 — CID 158609561

About 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole

3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole (PubChem CID 158609561) has the molecular formula C187H274N20OPd10 and a molecular weight of 3882.59 g/mol. Its IUPAC name is 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole
• PubChem CID: 158609561
• Molecular Formula: C187H274N20OPd10
• Molecular Weight: 3882.59 g/mol
• Exact Mass: 3875.24
• IUPAC Name: 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole
• SMILES: CC(C)c1nn(C(C)C)c(C(C)C)c1-c1ccccc1.CCC(C)c1c(-c2ccccc2)c(C(C)C)nn1C(C)C.CCC(C)c1nn(C(C)C)c(C(C)C)c1-c1ccc(C)cc1.CCc1cc(CC)cc(-c2c(C)nn(C(C)C)c2C)c1.CCc1nn(C(C)C)c(C)c1-c1cc(C(C)C)cc(C(C)C)c1.CCc1nn(C(C)C)c(CC)c1-c1ccc(C(C)(C)C)cc1.COc1nn(C(C)C)c(C(C)C)c1-c1cc(C)cc(C)c1.Cc1c(-c2ccccc2)c(C(C)C)nn1C(C)C.Cc1cc(-c2c(C)nn(C(C)C)c2C(C)(C)C)cc(C)c1C.Cc1ccc(-c2c(C)nn(C(C)C)c2C(C)C)cc1.[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].[Pd]
• InChI: InChI=1S/C21H32N2.3C20H30N2.C19H28N2.C18H26N2O.2C18H26N2.C17H24N2.C16H22N2.10Pd/c1-9-20-21(16(8)23(22-20)15(6)7)19-11-17(13(2)3)10-18(12-19)14(4)5;1-12(2)22-19(20(7,8)9)18(16(6)21-22)17-10-13(3)15(5)14(4)11-17;1-8-16(7)19-18(17-11-9-15(6)10-12-17)20(13(2)3)22(21-19)14(4)5;1-8-17-19(18(9-2)22(21-17)14(3)4)15-10-12-16(13-11-15)20(5,6)7;1-7-15(6)19-17(16-11-9-8-10-12-16)18(13(2)3)20-21(19)14(4)5;1-11(2)17-16(15-9-13(5)8-14(6)10-15)18(21-7)19-20(17)12(3)4;1-12(2)17-16(15-10-8-7-9-11-15)18(13(3)4)20(19-17)14(5)6;1-7-15-9-16(8-2)11-17(10-15)18-13(5)19-20(12(3)4)14(18)6;1-11(2)17-16(14(6)18-19(17)12(3)4)15-9-7-13(5)8-10-15;1-11(2)16-15(14-9-7-6-8-10-14)13(5)18(17-16)12(3)4;;;;;;;;;;/h10-15H,9H2,1-8H3;10-12H,1-9H3;9-14,16H,8H2,1-7H3;10-14H,8-9H2,1-7H3;8-15H,7H2,1-6H3;8-12H,1-7H3;7-14H,1-6H3;9-12H,7-8H2,1-6H3;7-12H,1-6H3;6-12H,1-5H3
• InChIKey: HWQVHTBIYMSKBX-UHFFFAOYSA-N
• XLogP: 53.85
• TPSA: 187.43 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 39
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3882.59
LogP ≤ 5	53.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole?

The IUPAC name of 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole (CID 158609561) is 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole.

What is the SMILES notation for 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole?

The canonical SMILES for 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole is CC(C)c1nn(C(C)C)c(C(C)C)c1-c1ccccc1.CCC(C)c1c(-c2ccccc2)c(C(C)C)nn1C(C)C.CCC(C)c1nn(C(C)C)c(C(C)C)c1-c1ccc(C)cc1.CCc1cc(CC)cc(-c2c(C)nn(C(C)C)c2C)c1.CCc1nn(C(C)C)c(C)c1-c1cc(C(C)C)cc(C(C)C)c1.CCc1nn(C(C)C)c(CC)c1-c1ccc(C(C)(C)C)cc1.COc1nn(C(C)C)c(C(C)C)c1-c1cc(C)cc(C)c1.Cc1c(-c2ccccc2)c(C(C)C)nn1C(C)C.Cc1cc(-c2c(C)nn(C(C)C)c2C(C)(C)C)cc(C)c1C.Cc1ccc(-c2c(C)nn(C(C)C)c2C(C)C)cc1.[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].

What is the InChIKey of 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole?

The InChIKey is HWQVHTBIYMSKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2.3C20H30N2.C19H28N2.C18H26N2O.2C18H26N2.C17H24N2.C16H22N2.10Pd/c1-9-20-21(16(8)23(22-20)15(6)7)19-11-17(13(2)3)10-18(12-19)14(4)5;1-12(2)22-19(20(7,8)9)18(16(6)21-22)17-10-13(3)15(5)14(4)11-17;1-8-16(7)19-18(17-11-9-15(6)10-12-17)20(13(2)3)22(21-19)14(4)5;1-8-17-19(18(9-2)22(21-17)14(3)4)15-10-12-16(13-11-15)20(5,6)7;1-7-15(6)19-17(16-11-9-8-10-12-16)18(13(2)3)20-21(19)14(4)5;1-11(2)17-16(15-9-13(5)8-14(6)10-15)18(21-7)19-20(17)12(3)4;1-12(2)17-16(15-10-8-7-9-11-15)18(13(3)4)20(19-17)14(5)6;1-7-15-9-16(8-2)11-17(10-15)18-13(5)19-20(12(3)4)14(18)6;1-11(2)17-16(14(6)18-19(17)12(3)4)15-9-7-13(5)8-10-15;1-11(2)16-15(14-9-7-6-8-10-14)13(5)18(17-16)12(3)4;;;;;;;;;;/h10-15H,9H2,1-8H3;10-12H,1-9H3;9-14,16H,8H2,1-7H3;10-14H,8-9H2,1-7H3;8-15H,7H2,1-6H3;8-12H,1-7H3;7-14H,1-6H3;9-12H,7-8H2,1-6H3;7-12H,1-6H3;6-12H,1-5H3;;;;;;;;;;.

What are the key properties of 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole?

3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole has a molecular weight of 3882.59 g/mol, XLogP of 53.85, 39 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butan-2-yl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-butan-2-yl-4-phenyl-1,3-di(propan-2-yl)pyrazole;5-tert-butyl-3-methyl-1-propan-2-yl-4-(3,4,5-trimethylphenyl)pyrazole;4-(4-tert-butylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(3,5-diethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;4-(3,5-dimethylphenyl)-3-methoxy-1,5-di(propan-2-yl)pyrazole;4-[3,5-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1-propan-2-ylpyrazole;3-methyl-4-(4-methylphenyl)-1,5-di(propan-2-yl)pyrazole;5-methyl-4-phenyl-1,3-di(propan-2-yl)pyrazole;decakis(palladium);4-phenyl-1,3,5-tri(propan-2-yl)pyrazole is sourced from PubChem (CID 158609561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).