2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole

C41H66N6OS2 — CID 157213181

About 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole

2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole (PubChem CID 157213181) has the molecular formula C41H66N6OS2 and a molecular weight of 723.15 g/mol. Its IUPAC name is 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole.

Molecular Properties

• Compound Name: 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole
• PubChem CID: 157213181
• Molecular Formula: C41H66N6OS2
• Molecular Weight: 723.15 g/mol
• Exact Mass: 722.47
• IUPAC Name: 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole
• SMILES: CC(C)C.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.c1cc[nH]c1
• InChI: InChI=1S/C7H12N2.C7H10O.C7H10S.C6H10N2.C6H9NS.C4H5N.C4H10/c1-6(2)7-4-8-9(3)5-7;2*1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-2-4-5-3-1;1-4(2)3/h4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;1-5H;4H,1-3H3
• InChIKey: ASCTZCDFWZTIFX-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.15
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole?

The IUPAC name of 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole (CID 157213181) is 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole.

What is the SMILES notation for 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole?

The canonical SMILES for 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole is CC(C)C.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.c1cc[nH]c1.

What is the InChIKey of 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole?

The InChIKey is ASCTZCDFWZTIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C7H10O.C7H10S.C6H10N2.C6H9NS.C4H5N.C4H10/c1-6(2)7-4-8-9(3)5-7;2*1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-2-4-5-3-1;1-4(2)3/h4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;1-5H;4H,1-3H3.

What are the key properties of 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole?

2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole has a molecular weight of 723.15 g/mol, XLogP of 13.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole is sourced from PubChem (CID 157213181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).