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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole

C106H199N22O2S2+ — CID 158321686

IUPAC3,5-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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
SMILESCC.CC.CC(C)C.CC(C)C.CC(C)C1C=C[N+](C(C)C)=N1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(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)n1ccnn1.Cc1nccn1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C11H20N2.C10H18N2.C9H17N3.C9H17N2.C9H16N2.2C9H15NS.2C8H14N2O.C7H12N2.C5H9N3.2C4H10.2C2H6/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;2*1-6(2)8-5-11-9(10-8)7(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;1-5(2)8-4-3-6-7-8;2*1-4(2)3;2*1-2/h7-8H,1-6H3;6-8H,1-5H3;6-7H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;2*5-6H,1-4H3;4-6H,1-3H3;3-5H,1-2H3;2*4H,1-3H3;2*1-2H3/q;;;+1;;;;;;;;;;;
InChIKeyQUJTYBWBIPCBFU-UHFFFAOYSA-N
MW1878.04 g/mol
LogP32.35
Rot. Bonds20

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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole (PubChem CID 158321686) has the molecular formula C106H199N22O2S2+ and a molecular weight of 1878.04 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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole.

Molecular Properties

Compound Name3,5-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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
PubChem CID158321686
Molecular FormulaC106H199N22O2S2+
Molecular Weight1878.04 g/mol
Exact Mass1876.56
IUPAC Name3,5-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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
SMILESCC.CC.CC(C)C.CC(C)C.CC(C)C1C=C[N+](C(C)C)=N1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(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)n1ccnn1.Cc1nccn1C(C)C.Cc1nn(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C11H20N2.C10H18N2.C9H17N3.C9H17N2.C9H16N2.2C9H15NS.2C8H14N2O.C7H12N2.C5H9N3.2C4H10.2C2H6/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;2*1-6(2)8-5-11-9(10-8)7(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;1-5(2)8-4-3-6-7-8;2*1-4(2)3;2*1-2/h7-8H,1-6H3;6-8H,1-5H3;6-7H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;2*5-6H,1-4H3;4-6H,1-3H3;3-5H,1-2H3;2*4H,1-3H3;2*1-2H3/q;;;+1;;;;;;;;;;;
InChIKeyQUJTYBWBIPCBFU-UHFFFAOYSA-N
XLogP32.35
TPSA251.69 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001878.04
LogP ≤ 532.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole with MolForge

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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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole (CID 158321686) 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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole is CC.CC.CC(C)C.CC(C)C.CC(C)C1C=C[N+](C(C)C)=N1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(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)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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole?
The InChIKey is QUJTYBWBIPCBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C10H18N2.C9H17N3.C9H17N2.C9H16N2.2C9H15NS.2C8H14N2O.C7H12N2.C5H9N3.2C4H10.2C2H6/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;2*1-6(2)8-5-11-9(10-8)7(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;1-5(2)8-4-3-6-7-8;2*1-4(2)3;2*1-2/h7-8H,1-6H3;6-8H,1-5H3;6-7H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;2*5-6H,1-4H3;4-6H,1-3H3;3-5H,1-2H3;2*4H,1-3H3;2*1-2H3/q;;;+1;;;;;;;;;;;.
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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole has a molecular weight of 1878.04 g/mol, XLogP of 32.35, 20 rotatable bonds, 0 hydrogen bond donors, and 25 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;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole is sourced from PubChem (CID 158321686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).