1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)

C223H357F9N38OS — CID 159633434

IUPAC1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)
SMILESCC(C)N1CC[C@H](F)C1.CC(C)N1CC[C@H](N(C)C)C1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(F)c1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC1=C(C(C)C)C=NC1.CC1=NCC=C1C(C)C.CCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1coc(C)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C
InChIInChI=1S/C13H17F3N2.C13H19FN2.2C13H20N2.C12H14N2.C11H18N2.C9H10F3N.C9H11F.C9H16N2.C9H20N2.3C9H16N2.C9H14O.2C8H14N2.C8H13NS.3C8H13N.C7H14FN.3C7H12N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16;1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;2*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-6-5-9(7-11)10(3)4;2*1-6(2)9-7(3)10-11(5)8(9)4;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-7(3)5-10-8(9)4;1-6(2)8-5-9-10(4)7(8)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-4-6-9(8)3;1-6(2)8-4-5-9-7(8)3;1-6(2)9-4-3-7(8)5-9;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7/h3,5,7,9,11H,4,6,8H2,1-2H3;4,6,8,10H,5,7,9H2,1-3H3;2*4,6,8,10-11H,5,7,9H2,1-3H3;3-10H,1-2H3;7-9,11H,3-6H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;5-8H,1-4H3;8-9H,5-7H2,1-4H3;2*6H,1-5H3;6-8H,4-5H2,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;4,6H,5H2,1-3H3;6-7H,3-5H2,1-2H3;3*4-6H,1-3H3/t;;2*11-;;;;;;9-;;;;;;;;;;;7-;;;/m..10.....0..........0.../s1
InChIKeyMPKXAPUNMRVUDM-LGFHUPOMSA-N
MW3789.62 g/mol
LogP57.69
Rot. Bonds34

About 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)

1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole) (PubChem CID 159633434) has the molecular formula C223H357F9N38OS and a molecular weight of 3789.62 g/mol. Its IUPAC name is 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole).

Molecular Properties

Compound Name1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)
PubChem CID159633434
Molecular FormulaC223H357F9N38OS
Molecular Weight3789.62 g/mol
Exact Mass3786.86
IUPAC Name1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)
SMILESCC(C)N1CC[C@H](F)C1.CC(C)N1CC[C@H](N(C)C)C1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(F)c1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC1=C(C(C)C)C=NC1.CC1=NCC=C1C(C)C.CCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1coc(C)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C
InChIInChI=1S/C13H17F3N2.C13H19FN2.2C13H20N2.C12H14N2.C11H18N2.C9H10F3N.C9H11F.C9H16N2.C9H20N2.3C9H16N2.C9H14O.2C8H14N2.C8H13NS.3C8H13N.C7H14FN.3C7H12N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16;1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;2*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-6-5-9(7-11)10(3)4;2*1-6(2)9-7(3)10-11(5)8(9)4;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-7(3)5-10-8(9)4;1-6(2)8-5-9-10(4)7(8)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-4-6-9(8)3;1-6(2)8-4-5-9-7(8)3;1-6(2)9-4-3-7(8)5-9;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7/h3,5,7,9,11H,4,6,8H2,1-2H3;4,6,8,10H,5,7,9H2,1-3H3;2*4,6,8,10-11H,5,7,9H2,1-3H3;3-10H,1-2H3;7-9,11H,3-6H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;5-8H,1-4H3;8-9H,5-7H2,1-4H3;2*6H,1-5H3;6-8H,4-5H2,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;4,6H,5H2,1-3H3;6-7H,3-5H2,1-2H3;3*4-6H,1-3H3/t;;2*11-;;;;;;9-;;;;;;;;;;;7-;;;/m..10.....0..........0.../s1
InChIKeyMPKXAPUNMRVUDM-LGFHUPOMSA-N
XLogP57.69
TPSA349.69 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003789.62
LogP ≤ 557.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Analyze 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole) with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-propan-2-ylpyrazole;2-cyclopropyl-4-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-pyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-propan-2-ylpyridin-2-amine;1-(5-propan-2-ylthiophen-2-yl)ethanone;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161556844
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
cumene;2-hydrazinylidene-4-methylpentan-1-imine;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157284470
cumene;icosakis(2-methylpropane);2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole
CID 157318180
4-tert-butyl-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;bis(4-cyclohexyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole);4-(4-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(3H-pyrrol-2-yl)-1,3-thiazole;4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 157552176
2-(azidomethyl)-4-propan-2-ylpyridine;4-tert-butyl-2-ethoxypyridine;1-cyclopropyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;2,6-dimethyl-4-propan-2-ylpyridine;1-ethyl-4-propan-2-ylpyrazole;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole
CID 157828103
cumene;methane;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole
CID 157930647
cumene;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157997535
cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 158129735
1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 158298691
Methane;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)
CID 158349219
cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrazole;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158376585

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)?
The IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole) (CID 159633434) is 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole).
What is the SMILES notation for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)?
The canonical SMILES for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole) is CC(C)N1CC[C@H](F)C1.CC(C)N1CC[C@H](N(C)C)C1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(F)c1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC1=C(C(C)C)C=NC1.CC1=NCC=C1C(C)C.CCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1coc(C)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.
What is the InChIKey of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)?
The InChIKey is MPKXAPUNMRVUDM-LGFHUPOMSA-N. The full InChI is InChI=1S/C13H17F3N2.C13H19FN2.2C13H20N2.C12H14N2.C11H18N2.C9H10F3N.C9H11F.C9H16N2.C9H20N2.3C9H16N2.C9H14O.2C8H14N2.C8H13NS.3C8H13N.C7H14FN.3C7H12N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16;1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;2*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-6-5-9(7-11)10(3)4;2*1-6(2)9-7(3)10-11(5)8(9)4;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-7(3)5-10-8(9)4;1-6(2)8-5-9-10(4)7(8)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-4-6-9(8)3;1-6(2)8-4-5-9-7(8)3;1-6(2)9-4-3-7(8)5-9;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7/h3,5,7,9,11H,4,6,8H2,1-2H3;4,6,8,10H,5,7,9H2,1-3H3;2*4,6,8,10-11H,5,7,9H2,1-3H3;3-10H,1-2H3;7-9,11H,3-6H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;5-8H,1-4H3;8-9H,5-7H2,1-4H3;2*6H,1-5H3;6-8H,4-5H2,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;4,6H,5H2,1-3H3;6-7H,3-5H2,1-2H3;3*4-6H,1-3H3/t;;2*11-;;;;;;9-;;;;;;;;;;;7-;;;/m..10.....0..........0.../s1.
What are the key properties of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)?
1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole) has a molecular weight of 3789.62 g/mol, XLogP of 57.69, 34 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole) is sourced from PubChem (CID 159633434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).