3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole

C₉₈H₁₈₈N₂₂O₂ — CID 157070346

About 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole

3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole (PubChem CID 157070346) has the molecular formula C₉₈H₁₈₈N₂₂O₂ and a molecular weight of 1706.73 g/mol. Its IUPAC name is 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole
• PubChem CID: 157070346
• Molecular Formula: C₉₈H₁₈₈N₂₂O₂
• Molecular Weight: 1706.73 g/mol
• Exact Mass: 1705.53
• IUPAC Name: 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole
• SMILES: CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1nnc(C(C)C)n1C.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1nccn1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C
• InChI: InChI=1S/C11H20N2.C10H18N2.C9H17N3.2C9H16N2.2C8H14N2O.C7H12N2.C6H10N2.C5H9N3.3C4H10.2C2H6/c1-7(2)11-9(5)12-13(8(3)4)10(11)6;1-7(2)9-6-12(5)10(11-9)8(3)4;1-6(2)8-10-11-9(7(3)4)12(8)5;2*1-7(2)9-5-6-11(10-9)8(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-6(2)9-5-4-8-7(9)3;1-6(2)8-4-3-7-5-8;1-5(2)8-4-3-6-7-8;3*1-4(2)3;2*1-2/h7-8H,1-6H3;6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;2*5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3*4H,1-3H3;2*1-2H3
• InChIKey: ACIVBRKTRYGKCE-UHFFFAOYSA-N
• XLogP: 28.88
• TPSA: 246.18 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1706.73
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole?

The IUPAC name of 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole (CID 157070346) is 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole.

What is the SMILES notation for 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole?

The canonical SMILES for 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole is CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1nnc(C(C)C)n1C.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1nccn1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C.

What is the InChIKey of 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole?

The InChIKey is ACIVBRKTRYGKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C10H18N2.C9H17N3.2C9H16N2.2C8H14N2O.C7H12N2.C6H10N2.C5H9N3.3C4H10.2C2H6/c1-7(2)11-9(5)12-13(8(3)4)10(11)6;1-7(2)9-6-12(5)10(11-9)8(3)4;1-6(2)8-10-11-9(7(3)4)12(8)5;2*1-7(2)9-5-6-11(10-9)8(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-6(2)9-5-4-8-7(9)3;1-6(2)8-4-3-7-5-8;1-5(2)8-4-3-6-7-8;3*1-4(2)3;2*1-2/h7-8H,1-6H3;6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;2*5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3*4H,1-3H3;2*1-2H3.

What are the key properties of 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole?

3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole has a molecular weight of 1706.73 g/mol, XLogP of 28.88, 17 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole is sourced from PubChem (CID 157070346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157070346 — identifiers, structure, computed properties (public domain)

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