2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole

C65H115N13O — CID 158889040

IUPAC2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole
SMILESCC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)C)o1.Cc1cn(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C12H21N.C10H17N.3C9H16N2.C8H15N3.C8H14N2O/c1-8(2)12-10(5)7-13(9(3)4)11(12)6;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h7-9H,1-6H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;5-6H,1-4H3
InChIKeyJDZMABLFAPRVLL-UHFFFAOYSA-N
MW1094.72 g/mol
LogP19.06
Rot. Bonds14

About 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole

2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole (PubChem CID 158889040) has the molecular formula C65H115N13O and a molecular weight of 1094.72 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole
PubChem CID158889040
Molecular FormulaC65H115N13O
Molecular Weight1094.72 g/mol
Exact Mass1093.93
IUPAC Name2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole
SMILESCC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)C)o1.Cc1cn(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C12H21N.C10H17N.3C9H16N2.C8H15N3.C8H14N2O/c1-8(2)12-10(5)7-13(9(3)4)11(12)6;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h7-9H,1-6H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;5-6H,1-4H3
InChIKeyJDZMABLFAPRVLL-UHFFFAOYSA-N
XLogP19.06
TPSA132.95 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001094.72
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole with MolForge

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Related Compounds

1-(1,3-Difluoropropan-2-yl)-5-propan-2-ylpyrazole;1-(3,3-difluoropropyl)-5-methyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-methyl-4-propan-2-ylpyrazole;1-(1-fluoroethyl)-5-propan-2-ylpyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;1-methyl-2-propan-2-ylpyrrole;5-methyl-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrazole;tris(4-propan-2-yl-1-propylpyrazole);3-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrole
CID 168396494
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
2-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyltetrazole;3-tert-butyl-4-methyl-1,2,4-triazole
CID 157222747
2-ethynyl-1-methyl-4-propan-2-ylimidazole;3-ethynyl-1-methyl-4-propan-2-ylpyrazole;3-ethynyl-1-methyl-5-propan-2-ylpyrazole;2-ethynyl-1-propan-2-ylimidazole;3-ethynyl-1-propan-2-ylpyrazole;5-ethynyl-4-propan-2-yl-1H-pyrazole;2-ethynyl-4-propan-2-yl-3H-pyrrole;5-ethynyl-3-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3,4-oxadiazole-2-carbonitrile
CID 157242521
1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole
CID 157269494
1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine
CID 157329587
1,2-Ditert-butylimidazole;1,5-ditert-butylimidazole;2,3-ditert-butyl-1-methylpyrazol-1-ium;1,2-ditert-butylpyrrole;1,2-ditert-butylpyrrolidine;ethane
CID 157497961
5-Tert-butyl-1,4-dimethylpyrazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole
CID 157640807
1,4-Dimethyl-2,5-di(propan-2-yl)pyrazol-2-ium;1,5-dimethyl-2,3-di(propan-2-yl)pyrazol-2-ium;2,5-dimethyl-1,3-di(propan-2-yl)pyrazol-2-ium;1,4-di(propan-2-yl)imidazol-2-amine;1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole;1,3-di(propan-2-yl)imidazol-1-ium;1,4-di(propan-2-yl)pyrazol-3-amine;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyridin-1-ium;3-methyl-1,4-di(propan-2-yl)imidazol-2-imine;3-methyl-1,4-di(propan-2-yl)imidazol-1-ium;1-methyl-2,4-di(propan-2-yl)pyrazol-1-ium;2-methyl-1,3-di(propan-2-yl)pyrazol-1-ium;1-methyl-2,4-di(propan-2-yl)pyrazol-2-ium-5-amine;1,3,5-trimethyl-2,4-di(propan-2-yl)pyrazol-1-ium
CID 157683536
4,5-Ditert-butyl-1-(2,2-dimethylpropyl)imidazole;4,5-ditert-butyl-1-(2,2-dimethylpropyl)pyrazole;2,3-ditert-butyl-1-(2,2-dimethylpropyl)pyrrole;4,5-ditert-butyl-1-(2,2-dimethylpropyl)triazole
CID 157708588
Bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
CID 157966506
Ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole
CID 158144284

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole?
The IUPAC name of 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole (CID 158889040) is 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole.
What is the SMILES notation for 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole?
The canonical SMILES for 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole is CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)C)o1.Cc1cn(C(C)C)c(C)c1C(C)C.
What is the InChIKey of 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole?
The InChIKey is JDZMABLFAPRVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C10H17N.3C9H16N2.C8H15N3.C8H14N2O/c1-8(2)12-10(5)7-13(9(3)4)11(12)6;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h7-9H,1-6H3;5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole?
2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole has a molecular weight of 1094.72 g/mol, XLogP of 19.06, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;1,4-di(propan-2-yl)triazole is sourced from PubChem (CID 158889040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).