4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole

C35H60N10 — CID 158094389

IUPAC4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole
SMILESCc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/C8H13N.3C7H12N2.C6H11N3/c1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9/h4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3
InChIKeyFOMMOTWUTIPPQG-UHFFFAOYSA-N
MW620.94 g/mol
LogP8.86
Rot. Bonds5

About 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole

4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole (PubChem CID 158094389) has the molecular formula C35H60N10 and a molecular weight of 620.94 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole
PubChem CID158094389
Molecular FormulaC35H60N10
Molecular Weight620.94 g/mol
Exact Mass620.50
IUPAC Name4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole
SMILESCc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/C8H13N.3C7H12N2.C6H11N3/c1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9/h4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3
InChIKeyFOMMOTWUTIPPQG-UHFFFAOYSA-N
XLogP8.86
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.94
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole?
The IUPAC name of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole (CID 158094389) is 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole.
What is the SMILES notation for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole?
The canonical SMILES for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole is Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1.
What is the InChIKey of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole?
The InChIKey is FOMMOTWUTIPPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.3C7H12N2.C6H11N3/c1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9/h4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole?
4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole has a molecular weight of 620.94 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole is sourced from PubChem (CID 158094389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).