1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole

C92H158N30O2S — CID 159746868

About 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole

1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole (PubChem CID 159746868) has the molecular formula C92H158N30O2S and a molecular weight of 1748.55 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole.

Molecular Properties

• Compound Name: 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
• PubChem CID: 159746868
• Molecular Formula: C92H158N30O2S
• Molecular Weight: 1748.55 g/mol
• Exact Mass: 1747.29
• IUPAC Name: 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
• SMILES: CC(C)c1cc[nH]c1.CC(C)c1cnn(C)c1.CC(C)n1cc(N)cn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1nccn1.CCn1cc(C(C)C)cn1.Cc1[nH]ncc1C(C)C.Cc1c(N)cnn1C(C)C.Cc1cn(C(C)C)cn1.Cc1cnc(C(C)C)o1.Cc1nn(C(C)C)cc1N.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C8H14N2.2C7H13N3.3C7H12N2.C7H11NO.C7H11N.C6H11N3.C6H10N2O.C6H10N2S.2C6H10N2.C5H9N3/c1-4-10-6-8(5-9-10)7(2)3;1-5(2)10-4-7(8)6(3)9-10;1-5(2)10-6(3)7(8)4-9-10;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)9-4-6(7)3-8-9;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-6-3-4-7-8/h5-7H,4H2,1-3H3;2*4-5H,8H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-6,8H,1-2H3;3-5H,7H2,1-2H3;2*4H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
• InChIKey: NDDLTYBMFYZTQE-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 386.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1748.55
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole?

The IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole (CID 159746868) is 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole.

What is the SMILES notation for 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole?

The canonical SMILES for 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole is CC(C)c1cc[nH]c1.CC(C)c1cnn(C)c1.CC(C)n1cc(N)cn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1nccn1.CCn1cc(C(C)C)cn1.Cc1[nH]ncc1C(C)C.Cc1c(N)cnn1C(C)C.Cc1cn(C(C)C)cn1.Cc1cnc(C(C)C)o1.Cc1nn(C(C)C)cc1N.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.

What is the InChIKey of 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole?

The InChIKey is NDDLTYBMFYZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C7H13N3.3C7H12N2.C7H11NO.C7H11N.C6H11N3.C6H10N2O.C6H10N2S.2C6H10N2.C5H9N3/c1-4-10-6-8(5-9-10)7(2)3;1-5(2)10-4-7(8)6(3)9-10;1-5(2)10-6(3)7(8)4-9-10;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)9-4-6(7)3-8-9;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-6-3-4-7-8/h5-7H,4H2,1-3H3;2*4-5H,8H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-6,8H,1-2H3;3-5H,7H2,1-2H3;2*4H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole?

1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole has a molecular weight of 1748.55 g/mol, XLogP of 22.44, 15 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole is sourced from PubChem (CID 159746868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).