1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole

C53H94N18 — CID 158279013

About 1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole

1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole (PubChem CID 158279013) has the molecular formula C53H94N18 and a molecular weight of 983.46 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole
• PubChem CID: 158279013
• Molecular Formula: C53H94N18
• Molecular Weight: 983.46 g/mol
• Exact Mass: 982.79
• IUPAC Name: 1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole
• SMILES: C.CC(C)C1=CCC=N1.CC(C)C1=NCN=N1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.Cc1cc(C(C)C)n(C)n1
• InChI: InChI=1S/C8H14N2.2C7H12N2.C7H11N.2C6H11N3.C6H10N2.C5H9N3.CH4/c1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;/h5-6H,1-4H3;2*4-6H,1-3H3;4-6H,3H2,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8);4H,3H2,1-2H3;1H4
• InChIKey: GJYYTKZTNHSAAO-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 193.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.46
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole (CID 158279013) is 1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole.

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

The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole is C.CC(C)C1=CCC=N1.CC(C)C1=NCN=N1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.Cc1cc(C(C)C)n(C)n1.

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

The InChIKey is GJYYTKZTNHSAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C7H12N2.C7H11N.2C6H11N3.C6H10N2.C5H9N3.CH4/c1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;/h5-6H,1-4H3;2*4-6H,1-3H3;4-6H,3H2,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8);4H,3H2,1-2H3;1H4.

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

1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole has a molecular weight of 983.46 g/mol, XLogP of 12.45, 8 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-1,2,4-triazole is sourced from PubChem (CID 158279013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).