1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one

C59H97N11O4 — CID 158983360

IUPAC1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one
SMILESCC(C)N1C=CCC1=O.CC1=CC(C(C)C)=NC1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1cn(C(C)C)cn1.Cc1ncc(C(C)C)o1
InChIInChI=1S/2C8H14N2.C8H13N.C7H12N2.4C7H11NO/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)5-9-8;1-6(2)9-4-7(3)8-5-9;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-6(2)8-5-3-4-7(8)9/h2*5-6H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;3,5-6H,4H2,1-2H3
InChIKeyJPGQETRTADOJDF-UHFFFAOYSA-N
MW1024.50 g/mol
LogP14.98
Rot. Bonds8

About 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one

1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one (PubChem CID 158983360) has the molecular formula C59H97N11O4 and a molecular weight of 1024.50 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one
PubChem CID158983360
Molecular FormulaC59H97N11O4
Molecular Weight1024.50 g/mol
Exact Mass1023.77
IUPAC Name1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one
SMILESCC(C)N1C=CCC1=O.CC1=CC(C(C)C)=NC1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1cn(C(C)C)cn1.Cc1ncc(C(C)C)o1
InChIInChI=1S/2C8H14N2.C8H13N.C7H12N2.4C7H11NO/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)5-9-8;1-6(2)9-4-7(3)8-5-9;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-6(2)8-5-3-4-7(8)9/h2*5-6H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;3,5-6H,4H2,1-2H3
InChIKeyJPGQETRTADOJDF-UHFFFAOYSA-N
XLogP14.98
TPSA164.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.50
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one with MolForge

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Related Compounds

ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
CID 157159026
5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
CID 157310136
2-Tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane;4-methyl-1,3-oxazole
CID 157440026
1-Tert-butyl-2,3-dihydropyridin-6-one;4-tert-butyl-2-ethynyl-1-methylimidazole;5-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-3-ethynyl-1,2-thiazole
CID 157591510
4-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-3H-pyrrole;3-tert-butyl-5-methyl-1H-pyrazole
CID 157785991
5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-2,5-dimethyl-1,3-oxazole;2-tert-butyl-3-ethylfuran;5-tert-butyl-4-ethyl-2-methyl-1,3-oxazole;5-tert-butyl-4-ethyl-3-methyl-1,2-oxazole;4-tert-butyl-3-ethyl-1-methylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3H-pyrrole
CID 157790182
1-tert-butyl-2,3-dihydropyridin-6-one;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;1-tert-butyl-2H-pyrrol-5-one
CID 157882114
3-Tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,5-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole
CID 157949331
1-tert-butyl-3-methyl-4-propan-2-ylpyrazole;bis(3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole);1,3-diethyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;3-ethyl-1-methyl-4-propan-2-ylpyrazole;3-methyl-1,4-di(propan-2-yl)pyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 157970890
5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
CID 158030123
1-tert-butyl-3-methyl-4-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;1,3-diethyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;3-ethyl-1-methyl-4-propan-2-ylpyrazole;3-methyl-1,4-di(propan-2-yl)pyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 158063887
2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)
CID 158076258

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one (CID 158983360) is 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one is CC(C)N1C=CCC1=O.CC1=CC(C(C)C)=NC1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1cn(C(C)C)cn1.Cc1ncc(C(C)C)o1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one?
The InChIKey is JPGQETRTADOJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.C8H13N.C7H12N2.4C7H11NO/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)5-9-8;1-6(2)9-4-7(3)8-5-9;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-6(2)8-5-3-4-7(8)9/h2*5-6H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;3,5-6H,4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one?
1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one has a molecular weight of 1024.50 g/mol, XLogP of 14.98, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one is sourced from PubChem (CID 158983360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).