3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

C204H355F3N42O5S3 — CID 158967732

IUPAC3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(CO)s1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)n1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1nc(C2CC2)no1.CC(C)n1cccn1.CC(C)n1cccn1.CCCc1noc(C(C)C)n1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)ccn1C.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)on1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C)cc1C(C)C.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)n1
InChIInChI=1S/C12H15N3.C9H16N2.2C9H15N.C9H13N.C8H11F3N2.C8H12N2O.C8H14N2O.2C8H14N2.2C8H11N.C8H12OS.5C7H12N2.C7H11NO.2C7H11NS.C6H11N3.C6H10N2O.2C6H10N2.12CH4/c1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-6-10(4)8(9)3;1-7(2)9-4-5-10-8(3)6-9;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)8-7(3)5-10(4)9-8;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)8-4-3-7(5-9)10-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-7(3)8-9;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-4-7-9(3)8-6;1-4(2)6-7-5(3)8-9-6;2*1-6(2)8-5-3-4-7-8;;;;;;;;;;;;/h3-8,10H,9H2,1-2H3;5-8H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3;3-4,6H,5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;2*3-7H,1-2H3;3-4,6,9H,5H2,1-2H3;5*4-6H,1-3H3;4*4-5H,1-3H3;4H,1-3H3;2*3-6H,1-2H3;12*1H4
InChIKeyJNKNEXORASVMLC-UHFFFAOYSA-N
MW3629.57 g/mol
LogP58.56
Rot. Bonds34

About 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 158967732) has the molecular formula C204H355F3N42O5S3 and a molecular weight of 3629.57 g/mol. Its IUPAC name is 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID158967732
Molecular FormulaC204H355F3N42O5S3
Molecular Weight3629.57 g/mol
Exact Mass3626.79
IUPAC Name3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(CO)s1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)n1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1nc(C2CC2)no1.CC(C)n1cccn1.CC(C)n1cccn1.CCCc1noc(C(C)C)n1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)ccn1C.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)on1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C)cc1C(C)C.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)n1
InChIInChI=1S/C12H15N3.C9H16N2.2C9H15N.C9H13N.C8H11F3N2.C8H12N2O.C8H14N2O.2C8H14N2.2C8H11N.C8H12OS.5C7H12N2.C7H11NO.2C7H11NS.C6H11N3.C6H10N2O.2C6H10N2.12CH4/c1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-6-10(4)8(9)3;1-7(2)9-4-5-10-8(3)6-9;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)8-7(3)5-10(4)9-8;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)8-4-3-7(5-9)10-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-7(3)8-9;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-4-7-9(3)8-6;1-4(2)6-7-5(3)8-9-6;2*1-6(2)8-5-3-4-7-8;;;;;;;;;;;;/h3-8,10H,9H2,1-2H3;5-8H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3;3-4,6H,5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;2*3-7H,1-2H3;3-4,6,9H,5H2,1-2H3;5*4-6H,1-3H3;4*4-5H,1-3H3;4H,1-3H3;2*3-6H,1-2H3;12*1H4
InChIKeyJNKNEXORASVMLC-UHFFFAOYSA-N
XLogP58.56
TPSA494.77 Ų
H-Bond Donors1
H-Bond Acceptors50
Rotatable Bonds34
Heavy Atoms257
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003629.57
LogP ≤ 558.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1050

Analyze 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;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 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (CID 158967732) is 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(CO)s1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)n1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1nc(C2CC2)no1.CC(C)n1cccn1.CC(C)n1cccn1.CCCc1noc(C(C)C)n1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)ccn1C.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)on1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C)cc1C(C)C.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)n1.
What is the InChIKey of 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is JNKNEXORASVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C9H16N2.2C9H15N.C9H13N.C8H11F3N2.C8H12N2O.C8H14N2O.2C8H14N2.2C8H11N.C8H12OS.5C7H12N2.C7H11NO.2C7H11NS.C6H11N3.C6H10N2O.2C6H10N2.12CH4/c1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-6-10(4)8(9)3;1-7(2)9-4-5-10-8(3)6-9;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)8-7(3)5-10(4)9-8;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)8-4-3-7(5-9)10-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-7(3)8-9;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-4-7-9(3)8-6;1-4(2)6-7-5(3)8-9-6;2*1-6(2)8-5-3-4-7-8;;;;;;;;;;;;/h3-8,10H,9H2,1-2H3;5-8H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3;3-4,6H,5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;2*3-7H,1-2H3;3-4,6,9H,5H2,1-2H3;5*4-6H,1-3H3;4*4-5H,1-3H3;4H,1-3H3;2*3-6H,1-2H3;12*1H4.
What are the key properties of 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 3629.57 g/mol, XLogP of 58.56, 34 rotatable bonds, 1 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;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-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 158967732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).