1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole

C53H77N11O5 — CID 159240110

About 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole

1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole (PubChem CID 159240110) has the molecular formula C53H77N11O5 and a molecular weight of 948.27 g/mol. Its IUPAC name is 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole.

Molecular Properties

• Compound Name: 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole
• PubChem CID: 159240110
• Molecular Formula: C53H77N11O5
• Molecular Weight: 948.27 g/mol
• Exact Mass: 947.61
• IUPAC Name: 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole
• SMILES: CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.COc1cc(C(C)C)on1.COc1cnn(C(C)C)c1.Cc1cc(C(C)C)on1.Cc1cnn(C(C)C)c1
• InChI: InChI=1S/C13H16N2O.C12H15N3.C7H12N2O.C7H12N2.C7H11NO2.C7H11NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;1-6(2)9-5-7(10-3)4-8-9;1-6(2)9-5-7(3)4-8-9;1-5(2)6-4-7(9-3)8-10-6;1-5(2)7-4-6(3)8-9-7/h4-10H,1-3H3;4-9H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3
• InChIKey: KTZAWHDFRBFNCY-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 163.92 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.27
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole?

The IUPAC name of 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole (CID 159240110) is 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole.

What is the SMILES notation for 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole?

The canonical SMILES for 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole is CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.COc1cc(C(C)C)on1.COc1cnn(C(C)C)c1.Cc1cc(C(C)C)on1.Cc1cnn(C(C)C)c1.

What is the InChIKey of 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole?

The InChIKey is KTZAWHDFRBFNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C12H15N3.C7H12N2O.C7H12N2.C7H11NO2.C7H11NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;1-6(2)9-5-7(10-3)4-8-9;1-6(2)9-5-7(3)4-8-9;1-5(2)6-4-7(9-3)8-10-6;1-5(2)7-4-6(3)8-9-7/h4-10H,1-3H3;4-9H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3.

What are the key properties of 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole?

1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole has a molecular weight of 948.27 g/mol, XLogP of 13.29, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 159240110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).