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

C207H269N21O7S — CID 158193347

IUPAC1-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
SMILESCC(C)/C=C/c1ccc(C#N)cc1.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)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.Cc1ccc(/C=C/C(C)C)cc1.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1cccc(/C=C/C(C)C)c1.O=S=O
InChIInChI=1S/C17H24N2.C16H21NO2.C15H23NO2.C15H16.C14H18N2.C14H19N.C13H16N2.C13H17N.C12H13N.2C12H16.2C11H13N3.C11H14N2.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;1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-12(2)13-8-10-15(11-9-13)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;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;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;7-11H,1-6H3;3-12H,1-2H3;4-12H,1-3H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;5-9H,1-4H3;3-8,10H,1-2H3;2*4-10H,1-3H3;2*3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;6-8H,1-5H3;/b;;;;;;;;4-3+;7-4+;8-7+;;;;;;/t12-;;;;12-;;;;;;;;;;;;/m1...0............/s1
InChIKeyGAAOCTAJMWIFIK-UUTFCNEXSA-N
MW3195.64 g/mol
LogP56.52
Rot. Bonds31

About 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

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 (PubChem CID 158193347) has the molecular formula C207H269N21O7S and a molecular weight of 3195.64 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 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.

Molecular Properties

Compound Name1-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
PubChem CID158193347
Molecular FormulaC207H269N21O7S
Molecular Weight3195.64 g/mol
Exact Mass3193.11
IUPAC Name1-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
SMILESCC(C)/C=C/c1ccc(C#N)cc1.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)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.Cc1ccc(/C=C/C(C)C)cc1.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1cccc(/C=C/C(C)C)c1.O=S=O
InChIInChI=1S/C17H24N2.C16H21NO2.C15H23NO2.C15H16.C14H18N2.C14H19N.C13H16N2.C13H17N.C12H13N.2C12H16.2C11H13N3.C11H14N2.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;1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-12(2)13-8-10-15(11-9-13)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;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;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;7-11H,1-6H3;3-12H,1-2H3;4-12H,1-3H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;5-9H,1-4H3;3-8,10H,1-2H3;2*4-10H,1-3H3;2*3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;6-8H,1-5H3;/b;;;;;;;;4-3+;7-4+;8-7+;;;;;;/t12-;;;;12-;;;;;;;;;;;;/m1...0............/s1
InChIKeyGAAOCTAJMWIFIK-UUTFCNEXSA-N
XLogP56.52
TPSA292.22 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003195.64
LogP ≤ 556.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

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5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;1,4-ditert-butylbenzene;1,5-ditert-butylbenzimidazole;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butylnaphthalene;2,5-ditert-butylpyridine;2,6-ditert-butylquinoline;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
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1-[4-(dibenzofuran-4-ylmethyl)-2,6-dimethylphenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;9-ethyl-4-[3-(3H-naphthalen-3-id-2-yl)-1,2,4-triazol-4-yl]carbazole;octakis(iridium);methane;1-methyl-2-phenylimidazole;9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;[4-[1-(2,3,4,5,6-pentamethylphenyl)tetrazol-5-yl]benzene-5-id-1-yl] 2-methylprop-2-enoate;5-(3H-pyrazol-3-id-2-yl)-1-(1,4,5-trimethylimidazol-2-yl)-1,2,4-triazole
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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
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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
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12-(3-Dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole
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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 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?
The IUPAC name of 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) is 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.
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 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?
The canonical SMILES for 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 is CC(C)/C=C/c1ccc(C#N)cc1.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)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.Cc1ccc(/C=C/C(C)C)cc1.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 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?
The InChIKey is GAAOCTAJMWIFIK-UUTFCNEXSA-N. The full InChI is InChI=1S/C17H24N2.C16H21NO2.C15H23NO2.C15H16.C14H18N2.C14H19N.C13H16N2.C13H17N.C12H13N.2C12H16.2C11H13N3.C11H14N2.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;1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-12(2)13-8-10-15(11-9-13)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;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;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;7-11H,1-6H3;3-12H,1-2H3;4-12H,1-3H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;5-9H,1-4H3;3-8,10H,1-2H3;2*4-10H,1-3H3;2*3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;6-8H,1-5H3;/b;;;;;;;;4-3+;7-4+;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 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?
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 has a molecular weight of 3195.64 g/mol, XLogP of 56.52, 31 rotatable bonds, 0 hydrogen bond donors, and 27 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 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 is sourced from PubChem (CID 158193347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).