1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide

C182H230FN17O6S — CID 158883535

IUPAC1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
SMILESCC(C)/C(F)=C/c1ccc(C#N)cc1.CC(C)/C=C/c1ccc(C#N)cc1.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(OCc2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc(CC#N)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn([C@@H](C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1cccc(/C=C/C(C)C)c1.O=S=O
InChIInChI=1S/C17H24N2.C16H21NO2.C16H18O.C14H18N2.C14H19N.C13H16N2.C13H17N.C12H12FN.C12H13N.C12H16.C11H13N3.C11H13N.C11H12O.C10H18N2.O2S/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-9(2)12(13)7-10-3-5-11(8-14)6-4-10;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-6-11-12(7-9)10(3,4)5;1-3-2/h8-13H,5-7H2,1-4H3;6-11H,1-5H3;3-11,13H,12H2,1-2H3;4-12H,1-3H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;5-9H,1-4H3;3-7,9H,1-2H3;3-8,10H,1-2H3;4-10H,1-3H3;3-9H,1-2H3;3-5,8-9H,6H2,1-2H3;3-8H,1-2H3;6-8H,1-5H3;/b;;;;;;;12-7-;4-3+;8-7+;;;;;/t12-;;;12-;;;;;;;;;;;/m1..0.........../s1
InChIKeyJDIBAXADSRKSGZ-OPCCSNNVSA-N
MW2803.02 g/mol
LogP49.90
Rot. Bonds30

About 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide

1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide (PubChem CID 158883535) has the molecular formula C182H230FN17O6S and a molecular weight of 2803.02 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
PubChem CID158883535
Molecular FormulaC182H230FN17O6S
Molecular Weight2803.02 g/mol
Exact Mass2800.79
IUPAC Name1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
SMILESCC(C)/C(F)=C/c1ccc(C#N)cc1.CC(C)/C=C/c1ccc(C#N)cc1.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(OCc2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc(CC#N)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn([C@@H](C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1cccc(/C=C/C(C)C)c1.O=S=O
InChIInChI=1S/C17H24N2.C16H21NO2.C16H18O.C14H18N2.C14H19N.C13H16N2.C13H17N.C12H12FN.C12H13N.C12H16.C11H13N3.C11H13N.C11H12O.C10H18N2.O2S/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-9(2)12(13)7-10-3-5-11(8-14)6-4-10;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-6-11-12(7-9)10(3,4)5;1-3-2/h8-13H,5-7H2,1-4H3;6-11H,1-5H3;3-11,13H,12H2,1-2H3;4-12H,1-3H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;5-9H,1-4H3;3-7,9H,1-2H3;3-8,10H,1-2H3;4-10H,1-3H3;3-9H,1-2H3;3-5,8-9H,6H2,1-2H3;3-8H,1-2H3;6-8H,1-5H3;/b;;;;;;;12-7-;4-3+;8-7+;;;;;/t12-;;;12-;;;;;;;;;;;/m1..0.........../s1
InChIKeyJDIBAXADSRKSGZ-OPCCSNNVSA-N
XLogP49.90
TPSA270.96 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002803.02
LogP ≤ 549.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide with MolForge

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Related Compounds

1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;N-(4-cyanophenyl)-2-methylpropanamide;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
CID 158165531
1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
CID 158193347
1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile
CID 158193982
1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 158502961
1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
CID 158841384
1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-propylindole;3-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
CID 159011131
1-benzyl-4-propan-2-ylpyrazole;N-(4-cyanophenyl)-2-methylpropanamide;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
CID 160171078
1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile
CID 160940076
1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
CID 161140181
1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
CID 161471733
1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-propan-2-yl-1-propylindole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 161869951

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide (CID 158883535) is 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide is CC(C)/C(F)=C/c1ccc(C#N)cc1.CC(C)/C=C/c1ccc(C#N)cc1.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(OCc2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc(CC#N)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn([C@@H](C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1cccc(/C=C/C(C)C)c1.O=S=O.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide?
The InChIKey is JDIBAXADSRKSGZ-OPCCSNNVSA-N. The full InChI is InChI=1S/C17H24N2.C16H21NO2.C16H18O.C14H18N2.C14H19N.C13H16N2.C13H17N.C12H12FN.C12H13N.C12H16.C11H13N3.C11H13N.C11H12O.C10H18N2.O2S/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-9(2)12(13)7-10-3-5-11(8-14)6-4-10;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-6-11-12(7-9)10(3,4)5;1-3-2/h8-13H,5-7H2,1-4H3;6-11H,1-5H3;3-11,13H,12H2,1-2H3;4-12H,1-3H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;5-9H,1-4H3;3-7,9H,1-2H3;3-8,10H,1-2H3;4-10H,1-3H3;3-9H,1-2H3;3-5,8-9H,6H2,1-2H3;3-8H,1-2H3;6-8H,1-5H3;/b;;;;;;;12-7-;4-3+;8-7+;;;;;/t12-;;;12-;;;;;;;;;;;/m1..0.........../s1.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide?
1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide has a molecular weight of 2803.02 g/mol, XLogP of 49.90, 30 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide is sourced from PubChem (CID 158883535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).