1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole

C50H93N13O3 — CID 158811694

About 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole

1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole (PubChem CID 158811694) has the molecular formula C50H93N13O3 and a molecular weight of 924.38 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole.

Molecular Properties

• Compound Name: 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
• PubChem CID: 158811694
• Molecular Formula: C50H93N13O3
• Molecular Weight: 924.38 g/mol
• Exact Mass: 923.75
• IUPAC Name: 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
• SMILES: C.C.C.C.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.CC(C)c1nnco1.Cc1noc(C(C)C)n1
• InChI: InChI=1S/C9H16N2.2C7H12N2.C6H10N2O.C6H10N2.C6H9NO.C5H8N2O.4CH4/c1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;/h5-8H,1-4H3;2*4-6H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3;4*1H4
• InChIKey: IUTRYNXLLKNCIJ-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 186.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	924.38
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole?

The IUPAC name of 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole (CID 158811694) is 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole.

What is the SMILES notation for 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole?

The canonical SMILES for 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole is C.C.C.C.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.CC(C)c1nnco1.Cc1noc(C(C)C)n1.

What is the InChIKey of 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole?

The InChIKey is IUTRYNXLLKNCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C7H12N2.C6H10N2O.C6H10N2.C6H9NO.C5H8N2O.4CH4/c1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;/h5-8H,1-4H3;2*4-6H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3;4*1H4.

What are the key properties of 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole?

1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole has a molecular weight of 924.38 g/mol, XLogP of 14.24, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 158811694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).