1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine

C192H321FN24O7 — CID 159419878

IUPAC1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine
SMILESCC(=O)C(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CC=CCC1=O.CC(C)C1=CCCC1=O.CC(C)C1=CCCCO1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CC1CC(CC(=O)C(C)C)C1.CCC(=O)C(C)C.CCC(C)C.CCn1ccc(C(C)C)n1.COCC(C)C.Cc1cc(C(C)C)n[nH]1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C10H18O.4C9H13N.C9H12O.C8H10FN.C8H14N2.3C8H11N.C8H14O.C8H12O.5C7H12N2.C7H10N2.C6H10N2.C6H12O.C5H12O.C5H10O.C5H12.3C4H10/c1-7(2)10(11)6-9-4-8(3)5-9;1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8;1-4-10-6-5-8(9-10)7(2)3;4*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8(7)9;2*1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)8-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-4-7-8-6;1-4-6(7)5(2)3;1-5(2)4-6-3;1-4(2)5(3)6;1-4-5(2)3;3*1-4(2)3/h7-9H,4-6H2,1-3H3;4*4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;5,7H,3-4,6H2,1-2H3;4,6H,3,5H2,1-2H3;4*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;5H,4H2,1-3H3;3*4H,1-3H3
InChIKeyLPQAATIYRUHGSG-UHFFFAOYSA-N
MW3096.84 g/mol
LogP52.38
Rot. Bonds29

About 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine

1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine (PubChem CID 159419878) has the molecular formula C192H321FN24O7 and a molecular weight of 3096.84 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine
PubChem CID159419878
Molecular FormulaC192H321FN24O7
Molecular Weight3096.84 g/mol
Exact Mass3094.55
IUPAC Name1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine
SMILESCC(=O)C(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CC=CCC1=O.CC(C)C1=CCCC1=O.CC(C)C1=CCCCO1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CC1CC(CC(=O)C(C)C)C1.CCC(=O)C(C)C.CCC(C)C.CCn1ccc(C(C)C)n1.COCC(C)C.Cc1cc(C(C)C)n[nH]1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C10H18O.4C9H13N.C9H12O.C8H10FN.C8H14N2.3C8H11N.C8H14O.C8H12O.5C7H12N2.C7H10N2.C6H10N2.C6H12O.C5H12O.C5H10O.C5H12.3C4H10/c1-7(2)10(11)6-9-4-8(3)5-9;1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8;1-4-10-6-5-8(9-10)7(2)3;4*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8(7)9;2*1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)8-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-4-7-8-6;1-4-6(7)5(2)3;1-5(2)4-6-3;1-4(2)5(3)6;1-4-5(2)3;3*1-4(2)3/h7-9H,4-6H2,1-3H3;4*4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;5,7H,3-4,6H2,1-2H3;4,6H,3,5H2,1-2H3;4*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;5H,4H2,1-3H3;3*4H,1-3H3
InChIKeyLPQAATIYRUHGSG-UHFFFAOYSA-N
XLogP52.38
TPSA379.17 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003096.84
LogP ≤ 552.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159318929
bis(1,3-dimethyl-5-propan-2-ylpyrazole);methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-yl-1,2,4-triazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;3-propan-2-ylcyclohexan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;5-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole
CID 160862190
1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 162117240
N-(2-bicyclo[2.2.2]octanyl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;2-methylbutane;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;bis(4-methylpentan-2-one);bis(2-methylpropane);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;N-propan-2-ylacetamide;propan-2-ylcyclopropane;1-propan-2-ylpiperidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
CID 160584651
ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
CID 159403042
cumene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
CID 159406193
ethane;1-fluoro-1-propan-2-ylcyclobutane;1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylpyridine
CID 169165899
1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159079535
2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 161485090
3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
CID 159605668
2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 158940214
cumene;1,3-dimethyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;7-propan-2-yl-1-benzofuran;2-propan-2-ylpyridine
CID 165041347

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine?
The IUPAC name of 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine (CID 159419878) is 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine.
What is the SMILES notation for 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine?
The canonical SMILES for 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine is CC(=O)C(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CC=CCC1=O.CC(C)C1=CCCC1=O.CC(C)C1=CCCCO1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CC1CC(CC(=O)C(C)C)C1.CCC(=O)C(C)C.CCC(C)C.CCn1ccc(C(C)C)n1.COCC(C)C.Cc1cc(C(C)C)n[nH]1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine?
The InChIKey is LPQAATIYRUHGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.4C9H13N.C9H12O.C8H10FN.C8H14N2.3C8H11N.C8H14O.C8H12O.5C7H12N2.C7H10N2.C6H10N2.C6H12O.C5H12O.C5H10O.C5H12.3C4H10/c1-7(2)10(11)6-9-4-8(3)5-9;1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8;1-4-10-6-5-8(9-10)7(2)3;4*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8(7)9;2*1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)8-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-4-7-8-6;1-4-6(7)5(2)3;1-5(2)4-6-3;1-4(2)5(3)6;1-4-5(2)3;3*1-4(2)3/h7-9H,4-6H2,1-3H3;4*4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;5,7H,3-4,6H2,1-2H3;4,6H,3,5H2,1-2H3;4*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;5H,4H2,1-3H3;3*4H,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine?
1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine has a molecular weight of 3096.84 g/mol, XLogP of 52.38, 29 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-ylpyrazole;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-methylpropane;2-methylbutane;3-methylbutan-2-one;3-methyl-1-(3-methylcyclobutyl)butan-2-one;2-methylpentan-3-one;tris(2-methylpropane);bis(1-methyl-4-propan-2-ylimidazole);1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);2-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-ylcyclopent-2-en-1-one;6-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine is sourced from PubChem (CID 159419878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).