1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole

C79H139N15O5 — CID 160860509

IUPAC1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole
SMILESC.C.C.C.C.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C8H14N2.C8H13N.C7H12N2.C7H11NO.C7H11N.C7H10O.C6H10N2O.2C6H10N2.2C6H9NO.5CH4/c1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;/h5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;5*1H4
InChIKeySKKLYMUGQZCPSO-UHFFFAOYSA-N
MW1379.08 g/mol
LogP23.54
Rot. Bonds11

About 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole

1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole (PubChem CID 160860509) has the molecular formula C79H139N15O5 and a molecular weight of 1379.08 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole
PubChem CID160860509
Molecular FormulaC79H139N15O5
Molecular Weight1379.08 g/mol
Exact Mass1378.11
IUPAC Name1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole
SMILESC.C.C.C.C.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C8H14N2.C8H13N.C7H12N2.C7H11NO.C7H11N.C7H10O.C6H10N2O.2C6H10N2.2C6H9NO.5CH4/c1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;/h5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;5*1H4
InChIKeySKKLYMUGQZCPSO-UHFFFAOYSA-N
XLogP23.54
TPSA243.87 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.08
LogP ≤ 523.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole (CID 160860509) is 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole is C.C.C.C.C.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1nnc(C(C)C)o1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole?
The InChIKey is SKKLYMUGQZCPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H13N.C7H12N2.C7H11NO.C7H11N.C7H10O.C6H10N2O.2C6H10N2.2C6H9NO.5CH4/c1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;/h5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;5*1H4.
What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole?
1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole has a molecular weight of 1379.08 g/mol, XLogP of 23.54, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 160860509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).