1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline

C176H225F2N17O4S — CID 158252198

IUPAC1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC1=Nc2ccc(C(C)C)cc2C1.CCn1cc(C(C)C)cn1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccn1.Cc1cc2cc(C(C)C)ccc2o1
InChIInChI=1S/C15H16.C12H15N.C12H13N.C12H14O.3C11H14N2.C11H14O.C10H13FO.C10H12N2.C10H11NS.C10H14O.C9H11F.C9H13N.C8H14N2.C8H11N.C7H12N2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-4-5-10-8(3)6-9;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h3-12H,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;4*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyGGVUFRVBGHDUGH-UHFFFAOYSA-N
MW2712.91 g/mol
LogP48.88
Rot. Bonds21

About 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline

1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline (PubChem CID 158252198) has the molecular formula C176H225F2N17O4S and a molecular weight of 2712.91 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline
PubChem CID158252198
Molecular FormulaC176H225F2N17O4S
Molecular Weight2712.91 g/mol
Exact Mass2710.76
IUPAC Name1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC1=Nc2ccc(C(C)C)cc2C1.CCn1cc(C(C)C)cn1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccn1.Cc1cc2cc(C(C)C)ccc2o1
InChIInChI=1S/C15H16.C12H15N.C12H13N.C12H14O.3C11H14N2.C11H14O.C10H13FO.C10H12N2.C10H11NS.C10H14O.C9H11F.C9H13N.C8H14N2.C8H11N.C7H12N2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-4-5-10-8(3)6-9;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h3-12H,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;4*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyGGVUFRVBGHDUGH-UHFFFAOYSA-N
XLogP48.88
TPSA211.15 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002712.91
LogP ≤ 548.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline with MolForge

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Related Compounds

CID 157743742
CID 157743742
6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 158789828
4-(3,4-difluorophenyl)-3-(4-methylphenyl)-2H-furan-5-one;6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 159388155
N-[5-(5-acetyl-2-fluorophenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-ethylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 159417614
3-tert-butyl-1-(3-fluorophenyl)pyrazole;2-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxy)-2-ethylbenzene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;methyl 3-tert-butylbenzoate
CID 160849399
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-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-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
4-(3,4-difluorophenyl)-3-(4-methylphenyl)-2H-furan-5-one;6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 161013348
CID 161163738
CID 161163738
2-[(3R)-5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]ethanone
CID 161234764
2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 161498121
CID 161814794
CID 161814794
2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline
CID 164978253

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline?
The IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline (CID 158252198) is 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline?
The canonical SMILES for 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline is CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC1=Nc2ccc(C(C)C)cc2C1.CCn1cc(C(C)C)cn1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccn1.Cc1cc2cc(C(C)C)ccc2o1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline?
The InChIKey is GGVUFRVBGHDUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C12H15N.C12H13N.C12H14O.3C11H14N2.C11H14O.C10H13FO.C10H12N2.C10H11NS.C10H14O.C9H11F.C9H13N.C8H14N2.C8H11N.C7H12N2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-4-5-10-8(3)6-9;1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h3-12H,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;4*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline?
1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline has a molecular weight of 2712.91 g/mol, XLogP of 48.88, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline is sourced from PubChem (CID 158252198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).