1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane

C69H123N7O5 — CID 158454310

About 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane

1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane (PubChem CID 158454310) has the molecular formula C69H123N7O5 and a molecular weight of 1130.79 g/mol. Its IUPAC name is 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane.

Molecular Properties

• Compound Name: 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane
• PubChem CID: 158454310
• Molecular Formula: C69H123N7O5
• Molecular Weight: 1130.79 g/mol
• Exact Mass: 1129.96
• IUPAC Name: 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane
• SMILES: CC.CC.CC(C)N1CCC1.CC(C)N1CCOCC1.CC(C)OC1CC1.CC(C)Oc1ccccc1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccnn1C.CC(C)c1ccoc1.Cc1nn(C)cc1C(C)C
• InChI: InChI=1S/C9H12O.C8H14N2.C8H13N.C7H12N2.C7H15NO.2C7H10O.C6H13N.C6H12O.2C2H6/c1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-8-9(7)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)7-6-3-4-6;2*1-2/h3-8H,1-2H3;5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3
• InChIKey: HEJNNMQMMKXRMV-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 101.02 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1130.79
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane?

The IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane (CID 158454310) is 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane.

What is the SMILES notation for 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane?

The canonical SMILES for 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane is CC.CC.CC(C)N1CCC1.CC(C)N1CCOCC1.CC(C)OC1CC1.CC(C)Oc1ccccc1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccnn1C.CC(C)c1ccoc1.Cc1nn(C)cc1C(C)C.

What is the InChIKey of 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane?

The InChIKey is HEJNNMQMMKXRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H14N2.C8H13N.C7H12N2.C7H15NO.2C7H10O.C6H13N.C6H12O.2C2H6/c1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-8-9(7)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)7-6-3-4-6;2*1-2/h3-8H,1-2H3;5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3.

What are the key properties of 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane?

1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane has a molecular weight of 1130.79 g/mol, XLogP of 18.28, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane is sourced from PubChem (CID 158454310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).