2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole

C50H83N19O2 — CID 159972054

About 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole

2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole (PubChem CID 159972054) has the molecular formula C50H83N19O2 and a molecular weight of 982.34 g/mol. Its IUPAC name is 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole.

Molecular Properties

• Compound Name: 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole
• PubChem CID: 159972054
• Molecular Formula: C50H83N19O2
• Molecular Weight: 982.34 g/mol
• Exact Mass: 981.70
• IUPAC Name: 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole
• SMILES: CC1C=NN(C)C1.CC1CCN(C)C1.Cc1ccc(C)nc1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cncn1C.Cc1nnc(C)o1.Cc1noc(C)n1
• InChI: InChI=1S/C7H9N.C6H13N.2C5H8N2.C5H10N2.2C5H8N2.C4H7N3.2C4H6N2O/c1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3-5H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3,5H,4H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3;2*1-2H3
• InChIKey: OERDHKFMZIPJML-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 211.56 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	982.34
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole?

The IUPAC name of 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole (CID 159972054) is 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole.

What is the SMILES notation for 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole?

The canonical SMILES for 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole is CC1C=NN(C)C1.CC1CCN(C)C1.Cc1ccc(C)nc1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cncn1C.Cc1nnc(C)o1.Cc1noc(C)n1.

What is the InChIKey of 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole?

The InChIKey is OERDHKFMZIPJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H13N.2C5H8N2.C5H10N2.2C5H8N2.C4H7N3.2C4H6N2O/c1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3-5H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3,5H,4H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3;2*1-2H3.

What are the key properties of 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole?

2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole has a molecular weight of 982.34 g/mol, XLogP of 7.62, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-3,4-dihydropyrazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole is sourced from PubChem (CID 159972054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).