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

C51H92N12O — CID 157269494

About 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

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 (PubChem CID 157269494) has the molecular formula C51H92N12O and a molecular weight of 889.38 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157269494
• Molecular Formula: C51H92N12O
• Molecular Weight: 889.38 g/mol
• Exact Mass: 888.75
• IUPAC Name: 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
• SMILES: C.C.C.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.Cc1cc(C(C)C)n(C)n1.Cc1nnc(C(C)C)o1
• InChI: InChI=1S/C8H14N2.C8H13N.C7H12N2.C7H11N.C6H10N2O.2C6H10N2.3CH4/c1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;/h5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-6,8H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);3*1H4
• InChIKey: AYJIFEYPUYBRTC-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 152.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.38
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.Cc1cc(C(C)C)n(C)n1.Cc1nnc(C(C)C)o1.

What is the InChIKey of 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?

The InChIKey is AYJIFEYPUYBRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H13N.C7H12N2.C7H11N.C6H10N2O.2C6H10N2.3CH4/c1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;/h5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-6,8H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);3*1H4.

What are the key properties of 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?

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 has a molecular weight of 889.38 g/mol, XLogP of 14.16, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157269494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).