cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

C200H317F3N36O4S2 — CID 158110433

IUPACcumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1nc(C2CC2)no1.CC(C)n1cccn1.CC(C)n1cccn1.CC1=NC(C(C)C)=CC1.CCCc1noc(C(C)C)n1.CCc1ccc(C(C)C)s1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)ccn1C.Cc1cccc(C(C)C)c1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1coc(C(C)C)c1.Cc1coc(C(C)C)n1.Cc1ncc(C(C)C)s1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C12H15N3.C10H14.C9H16N2.C9H15N.C9H14S.C9H12.C8H11F3N2.C8H12N2O.C8H14N2O.3C8H14N2.3C8H13N.C8H11N.C8H12O.4C7H12N2.C7H11NO.C7H11NS.2C6H10N2/c1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-10(4)8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-12-13(4-7)5-8(9,10)11;1-5(2)8-9-7(10-11-8)6-3-4-6;1-4-5-7-9-8(6(2)3)11-10-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-4-5-9(3)6-8;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-4-3-5-9-6-8;1-6(2)8-4-7(3)5-9-8;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-7(3)8-9;1-5(2)7-8-6(3)4-9-7;1-5(2)7-4-8-6(3)9-7;2*1-6(2)8-5-3-4-7-8/h3-8,10H,9H2,1-2H3;4-8H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;5-7H,4H2,1-3H3;3-8H,1-2H3;3-4,6H,5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;5*4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3
InChIKeyFQJBTOGRGPBKAR-UHFFFAOYSA-N
MW3411.11 g/mol
LogP55.45
Rot. Bonds34

About cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 158110433) has the molecular formula C200H317F3N36O4S2 and a molecular weight of 3411.11 g/mol. Its IUPAC name is cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Namecumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID158110433
Molecular FormulaC200H317F3N36O4S2
Molecular Weight3411.11 g/mol
Exact Mass3408.51
IUPAC Namecumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1nc(C2CC2)no1.CC(C)n1cccn1.CC(C)n1cccn1.CC1=NC(C(C)C)=CC1.CCCc1noc(C(C)C)n1.CCc1ccc(C(C)C)s1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)ccn1C.Cc1cccc(C(C)C)c1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1coc(C(C)C)c1.Cc1coc(C(C)C)n1.Cc1ncc(C(C)C)s1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C12H15N3.C10H14.C9H16N2.C9H15N.C9H14S.C9H12.C8H11F3N2.C8H12N2O.C8H14N2O.3C8H14N2.3C8H13N.C8H11N.C8H12O.4C7H12N2.C7H11NO.C7H11NS.2C6H10N2/c1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-10(4)8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-12-13(4-7)5-8(9,10)11;1-5(2)8-9-7(10-11-8)6-3-4-6;1-4-5-7-9-8(6(2)3)11-10-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-4-5-9(3)6-8;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-4-3-5-9-6-8;1-6(2)8-4-7(3)5-9-8;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-7(3)8-9;1-5(2)7-8-6(3)4-9-7;1-5(2)7-4-8-6(3)9-7;2*1-6(2)8-5-3-4-7-8/h3-8,10H,9H2,1-2H3;4-8H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;5-7H,4H2,1-3H3;3-8H,1-2H3;3-4,6H,5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;5*4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3
InChIKeyFQJBTOGRGPBKAR-UHFFFAOYSA-N
XLogP55.45
TPSA396.67 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003411.11
LogP ≤ 555.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (CID 158110433) is cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1nc(C2CC2)no1.CC(C)n1cccn1.CC(C)n1cccn1.CC1=NC(C(C)C)=CC1.CCCc1noc(C(C)C)n1.CCc1ccc(C(C)C)s1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)ccn1C.Cc1cccc(C(C)C)c1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1coc(C(C)C)c1.Cc1coc(C(C)C)n1.Cc1ncc(C(C)C)s1.Cc1nn(C)cc1C(C)C.
What is the InChIKey of cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is FQJBTOGRGPBKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C10H14.C9H16N2.C9H15N.C9H14S.C9H12.C8H11F3N2.C8H12N2O.C8H14N2O.3C8H14N2.3C8H13N.C8H11N.C8H12O.4C7H12N2.C7H11NO.C7H11NS.2C6H10N2/c1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-10(4)8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-12-13(4-7)5-8(9,10)11;1-5(2)8-9-7(10-11-8)6-3-4-6;1-4-5-7-9-8(6(2)3)11-10-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-4-5-9(3)6-8;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-4-3-5-9-6-8;1-6(2)8-4-7(3)5-9-8;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-7(3)8-9;1-5(2)7-8-6(3)4-9-7;1-5(2)7-4-8-6(3)9-7;2*1-6(2)8-5-3-4-7-8/h3-8,10H,9H2,1-2H3;4-8H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;5-7H,4H2,1-3H3;3-8H,1-2H3;3-4,6H,5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;5*4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3.
What are the key properties of cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 3411.11 g/mol, XLogP of 55.45, 34 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 158110433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).