3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine

C182H288FN29O — CID 167690554

IUPAC3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cnoc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1N1CCC(C)(F)C1.CC(C)c1cccnc1N1CCCC1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1n[nH]c(CC)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1cncnc1C(C)C.Cc1cnncc1C(C)C.Cc1nccnc1C(C)C.Cc1ncnc(C)c1C(C)C.Cc1nnccc1C(C)C
InChIInChI=1S/C13H19FN2.C12H18N2.2C11H17N.C11H16.C10H18N2.C10H15N.C10H17N.C10H14.2C9H16N2.C9H14N2.2C9H16N2.4C8H12N2.C7H11NO/c1-10(2)11-5-4-7-15-12(11)16-8-6-13(3,14)9-16;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-5-8-10(7(3)4)9(6-2)12-11-8;1-7(2)10-8(3)5-11-6-9(10)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-5-11-8(9)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-7(3)4-9-5-10-8;1-6(2)8-5-10-9-4-7(8)3;1-6(2)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-6(2)3-7-4-8-9-5-7/h4-5,7,10H,6,8-9H2,1-3H3;5-7,10H,3-4,8-9H2,1-2H3;2*5-9H,1-4H3;4-10H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);5-7H,1-4H3;5-9H,1-4H3;3-7,9H,8H2,1-2H3;2*5-8H,1-4H3;5-6H,1-4H3;2*5-7H,1-4H3,(H,10,11);4*4-6H,1-3H3;4-6H,3H2,1-2H3
InChIKeyWWJBKUJAURXNDF-UHFFFAOYSA-N
MW2917.51 g/mol
LogP49.82
Rot. Bonds33

About 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine

3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 167690554) has the molecular formula C182H288FN29O and a molecular weight of 2917.51 g/mol. Its IUPAC name is 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
PubChem CID167690554
Molecular FormulaC182H288FN29O
Molecular Weight2917.51 g/mol
Exact Mass2915.34
IUPAC Name3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cnoc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1N1CCC(C)(F)C1.CC(C)c1cccnc1N1CCCC1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1n[nH]c(CC)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1cncnc1C(C)C.Cc1cnncc1C(C)C.Cc1nccnc1C(C)C.Cc1ncnc(C)c1C(C)C.Cc1nnccc1C(C)C
InChIInChI=1S/C13H19FN2.C12H18N2.2C11H17N.C11H16.C10H18N2.C10H15N.C10H17N.C10H14.2C9H16N2.C9H14N2.2C9H16N2.4C8H12N2.C7H11NO/c1-10(2)11-5-4-7-15-12(11)16-8-6-13(3,14)9-16;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-5-8-10(7(3)4)9(6-2)12-11-8;1-7(2)10-8(3)5-11-6-9(10)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-5-11-8(9)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-7(3)4-9-5-10-8;1-6(2)8-5-10-9-4-7(8)3;1-6(2)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-6(2)3-7-4-8-9-5-7/h4-5,7,10H,6,8-9H2,1-3H3;5-7,10H,3-4,8-9H2,1-2H3;2*5-9H,1-4H3;4-10H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);5-7H,1-4H3;5-9H,1-4H3;3-7,9H,8H2,1-2H3;2*5-8H,1-4H3;5-6H,1-4H3;2*5-7H,1-4H3,(H,10,11);4*4-6H,1-3H3;4-6H,3H2,1-2H3
InChIKeyWWJBKUJAURXNDF-UHFFFAOYSA-N
XLogP49.82
TPSA352.47 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002917.51
LogP ≤ 549.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine with MolForge

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Related Compounds

3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 167636690
1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-3H-pyrrole;bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 157360383
benzene;ethane;1H-imidazole;nonakis(2-methylpropane);1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine
CID 157431179
1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 157569318
4-tert-butyl-5-propan-2-yl-1,2-oxazole;4-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-2-propan-2-yl-1H-pyrrole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;5-tert-butyl-4-propan-2-yl-3H-pyrrole;4,5-ditert-butyl-1H-imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 157584341
benzene;ethane;1H-imidazole;undecakis(2-methylpropane);1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1H-1,2,4-triazole;2H-triazole
CID 158073654
5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;4-methyl-3H-pyrazole;3-methylpyridine;3-methyl-2H-pyrrole;4-methyl-1,2,4-triazole
CID 158261045
Cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
CID 158635242
CID 158742168
CID 158742168
CID 158834478
CID 158834478
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 159077103
5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole
CID 159107597

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 167690554) is 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine is CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cnoc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1N1CCC(C)(F)C1.CC(C)c1cccnc1N1CCCC1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1n[nH]c(CC)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1cncnc1C(C)C.Cc1cnncc1C(C)C.Cc1nccnc1C(C)C.Cc1ncnc(C)c1C(C)C.Cc1nnccc1C(C)C.
What is the InChIKey of 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is WWJBKUJAURXNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2.C12H18N2.2C11H17N.C11H16.C10H18N2.C10H15N.C10H17N.C10H14.2C9H16N2.C9H14N2.2C9H16N2.4C8H12N2.C7H11NO/c1-10(2)11-5-4-7-15-12(11)16-8-6-13(3,14)9-16;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-5-8-10(7(3)4)9(6-2)12-11-8;1-7(2)10-8(3)5-11-6-9(10)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-5-11-8(9)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-7(3)4-9-5-10-8;1-6(2)8-5-10-9-4-7(8)3;1-6(2)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-6(2)3-7-4-8-9-5-7/h4-5,7,10H,6,8-9H2,1-3H3;5-7,10H,3-4,8-9H2,1-2H3;2*5-9H,1-4H3;4-10H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);5-7H,1-4H3;5-9H,1-4H3;3-7,9H,8H2,1-2H3;2*5-8H,1-4H3;5-6H,1-4H3;2*5-7H,1-4H3,(H,10,11);4*4-6H,1-3H3;4-6H,3H2,1-2H3.
What are the key properties of 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 2917.51 g/mol, XLogP of 49.82, 33 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 167690554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).