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

C212H266N23O8S2- — CID 158165531

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;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

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 (PubChem CID 158165531) has the molecular formula C212H266N23O8S2- and a molecular weight of 3328.75 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;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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158165531
• Molecular Formula: C212H266N23O8S2-
• Molecular Weight: 3328.75 g/mol
• Exact Mass: 3326.06
• IUPAC Name: 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
• SMILES: CC(C)/C=C/c1ccc(C#N)cc1.CC(C)/C=C/c1cccc(NS(=O)[O-])c1.CC(C)C(=O)Nc1ccc(C#N)cc1.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cn(C)c2cc(C#N)ccc12.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@@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
• InChI: InChI=1S/C17H24N2.C16H21NO2.C15H16.C14H19N.C13H14N2.C13H16N2.C13H17N.C12H13N.2C12H16.2C11H13N3.C11H12N2O.C11H15NO2S.C11H12O.C10H12N2.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;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;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)11(14)13-10-5-3-9(7-12)4-6-10;1-9(2)6-7-10-4-3-5-11(8-10)12-15(13)14;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-10-9(8)6-11-12-10;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;3-12H,1-2H3;5-11H,1-4H3;4-6,8-9H,1-3H3;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;3-6,8H,1-2H3,(H,13,14);3-9,12H,1-2H3,(H,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3;/p-1/b;;;;;;;4-3+;7-4+;8-7+;;;;7-6+;;;;/t12-;;;;;;;;;;;;;;;;;/m1................./s1
• InChIKey: SCVQQPGKOIFNOV-QOHOVLLGSA-M
• XLogP: 56.60
• TPSA: 389.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3328.75
LogP ≤ 5	56.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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;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?

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;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) 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;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.

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;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?

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;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 is CC(C)/C=C/c1ccc(C#N)cc1.CC(C)/C=C/c1cccc(NS(=O)[O-])c1.CC(C)C(=O)Nc1ccc(C#N)cc1.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cn(C)c2cc(C#N)ccc12.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@@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 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?

The InChIKey is SCVQQPGKOIFNOV-QOHOVLLGSA-M. The full InChI is InChI=1S/C17H24N2.C16H21NO2.C15H16.C14H19N.C13H14N2.C13H16N2.C13H17N.C12H13N.2C12H16.2C11H13N3.C11H12N2O.C11H15NO2S.C11H12O.C10H12N2.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;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;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)11(14)13-10-5-3-9(7-12)4-6-10;1-9(2)6-7-10-4-3-5-11(8-10)12-15(13)14;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-10-9(8)6-11-12-10;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;3-12H,1-2H3;5-11H,1-4H3;4-6,8-9H,1-3H3;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;3-6,8H,1-2H3,(H,13,14);3-9,12H,1-2H3,(H,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3;/p-1/b;;;;;;;4-3+;7-4+;8-7+;;;;7-6+;;;;/t12-;;;;;;;;;;;;;;;;;/m1................./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;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?

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 has a molecular weight of 3328.75 g/mol, XLogP of 56.60, 33 rotatable bonds, 3 hydrogen bond donors, and 28 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;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 is sourced from PubChem (CID 158165531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).