1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole

C96H168N28O2S — CID 159742584

About 1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole

1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole (PubChem CID 159742584) has the molecular formula C96H168N28O2S and a molecular weight of 1778.66 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole.

Molecular Properties

• Compound Name: 1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
• PubChem CID: 159742584
• Molecular Formula: C96H168N28O2S
• Molecular Weight: 1778.66 g/mol
• Exact Mass: 1777.36
• IUPAC Name: 1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
• SMILES: C.C.CC(C)c1cc[nH]c1.CC(C)c1cnn(C)c1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1nccn1.CCn1cc(C(C)C)cn1.Cc1c(N)cnn1C(C)C.Cc1c[nH]cc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cnc(C(C)C)o1.Cc1cnn(C(C)C)c1.Cc1nn(C(C)C)cc1N.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C8H14N2.C8H13N.2C7H13N3.3C7H12N2.C7H11NO.C7H11N.C6H10N2O.C6H10N2S.2C6H10N2.C5H9N3.2CH4/c1-4-10-6-8(5-9-10)7(2)3;1-6(2)8-5-9-4-7(8)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;1-6(2)9-5-7(3)4-8-9;1-5(2)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;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;4-6,9H,1-3H3;2*4-5H,8H2,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;2*4H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;2*1H4
• InChIKey: NCQKNRLVPGMHFH-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 347.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1778.66
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole (CID 159742584) is 1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;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;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole?

The canonical SMILES for 1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole is C.C.CC(C)c1cc[nH]c1.CC(C)c1cnn(C)c1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1nccn1.CCn1cc(C(C)C)cn1.Cc1c(N)cnn1C(C)C.Cc1c[nH]cc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cnc(C(C)C)o1.Cc1cnn(C(C)C)c1.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;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole?

The InChIKey is NCQKNRLVPGMHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H13N.2C7H13N3.3C7H12N2.C7H11NO.C7H11N.C6H10N2O.C6H10N2S.2C6H10N2.C5H9N3.2CH4/c1-4-10-6-8(5-9-10)7(2)3;1-6(2)8-5-9-4-7(8)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;1-6(2)9-5-7(3)4-8-9;1-5(2)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;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;4-6,9H,1-3H3;2*4-5H,8H2,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;2*4H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;2*1H4.

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

1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole has a molecular weight of 1778.66 g/mol, XLogP of 25.05, 15 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-propan-2-ylpyrazole;methane;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;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole is sourced from PubChem (CID 159742584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).