1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole

C54H92N16O — CID 158768893

About 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole

1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole (PubChem CID 158768893) has the molecular formula C54H92N16O and a molecular weight of 981.44 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole
• PubChem CID: 158768893
• Molecular Formula: C54H92N16O
• Molecular Weight: 981.44 g/mol
• Exact Mass: 980.76
• IUPAC Name: 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole
• SMILES: CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cnc[nH]1.CC(C)c1cncn1C.CC(C)c1cnn(C)c1.Cc1cc(C(C)C)n(C)n1.Cc1nnc(C(C)C)o1
• InChI: InChI=1S/C8H14N2.4C7H12N2.C6H10N2O.2C6H10N2/c1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6/h5-6H,1-4H3;4*4-6H,1-3H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8)
• InChIKey: IPPRSLJWHURSLW-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 185.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	981.44
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole?

The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole (CID 158768893) is 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole.

What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole?

The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole is CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cnc[nH]1.CC(C)c1cncn1C.CC(C)c1cnn(C)c1.Cc1cc(C(C)C)n(C)n1.Cc1nnc(C(C)C)o1.

What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole?

The InChIKey is IPPRSLJWHURSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.4C7H12N2.C6H10N2O.2C6H10N2/c1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6/h5-6H,1-4H3;4*4-6H,1-3H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8).

What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole?

1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole has a molecular weight of 981.44 g/mol, XLogP of 12.59, 8 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 158768893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).