3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine

C189H264FN19O14S2 — CID 161370755

IUPAC3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine
SMILESC/C(=C(/F)C(C)C)c1ccc(C#N)cc1.CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)/C=C/c1ccccn1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cn(C)nc1Cc1ccccc1.CC(C)c1cnn(C(C)(C)CO)c1.CC(C)c1cnn(C2COC2)c1.CCOCCn1c(C(C)(C)C)cc2ccccc21.COCCn1c(C(C)(C)C)cc2ccccc21.Cn1c(C(C)(C)C)cc2c1CCCC2
InChIInChI=1S/C16H23NO.C15H21NO.C14H18N2.C14H19NO.C13H14FN.C13H21N.C12H18N2O.C12H16O.C11H15N.C11H14O2.C10H18N2O.C10H12N2.C10H15NO2S.C10H13NO.C9H14N2O.C9H13NO2S/c1-5-18-11-10-17-14-9-7-6-8-13(14)12-15(17)16(2,3)4;1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-11(2)13-10-16(3)15-14(13)9-12-7-5-4-6-8-12;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)13(14)10(3)12-6-4-11(8-15)5-7-12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-11-12(6-9)10(3,4)7-13;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-7(2)8-3-5-9(6-4-8)13(10,11)12/h6-9,12H,5,10-11H2,1-4H3;5-8,11H,9-10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,9H,1-3H3;9H,5-8H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5-6,8,13H,7H2,1-4H3;3-8H,1-2H3;4-8,11H,1-3H3;3-7H,1-2H3,(H2,11,12);3-4,7,9H,5-6H2,1-2H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;13-10-;;;;8-7+;;;;;;;
InChIKeyVQKSAHMDGBDCCX-JBMOWQAASA-N
MW3109.44 g/mol
LogP42.88
Rot. Bonds34

About 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine

3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine (PubChem CID 161370755) has the molecular formula C189H264FN19O14S2 and a molecular weight of 3109.44 g/mol. Its IUPAC name is 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine
PubChem CID161370755
Molecular FormulaC189H264FN19O14S2
Molecular Weight3109.44 g/mol
Exact Mass3107.00
IUPAC Name3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine
SMILESC/C(=C(/F)C(C)C)c1ccc(C#N)cc1.CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)/C=C/c1ccccn1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cn(C)nc1Cc1ccccc1.CC(C)c1cnn(C(C)(C)CO)c1.CC(C)c1cnn(C2COC2)c1.CCOCCn1c(C(C)(C)C)cc2ccccc21.COCCn1c(C(C)(C)C)cc2ccccc21.Cn1c(C(C)(C)C)cc2c1CCCC2
InChIInChI=1S/C16H23NO.C15H21NO.C14H18N2.C14H19NO.C13H14FN.C13H21N.C12H18N2O.C12H16O.C11H15N.C11H14O2.C10H18N2O.C10H12N2.C10H15NO2S.C10H13NO.C9H14N2O.C9H13NO2S/c1-5-18-11-10-17-14-9-7-6-8-13(14)12-15(17)16(2,3)4;1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-11(2)13-10-16(3)15-14(13)9-12-7-5-4-6-8-12;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)13(14)10(3)12-6-4-11(8-15)5-7-12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-11-12(6-9)10(3,4)7-13;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-7(2)8-3-5-9(6-4-8)13(10,11)12/h6-9,12H,5,10-11H2,1-4H3;5-8,11H,9-10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,9H,1-3H3;9H,5-8H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5-6,8,13H,7H2,1-4H3;3-8H,1-2H3;4-8,11H,1-3H3;3-7H,1-2H3,(H2,11,12);3-4,7,9H,5-6H2,1-2H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;13-10-;;;;8-7+;;;;;;;
InChIKeyVQKSAHMDGBDCCX-JBMOWQAASA-N
XLogP42.88
TPSA400.77 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003109.44
LogP ≤ 542.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The IUPAC name of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine (CID 161370755) is 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine.
What is the SMILES notation for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The canonical SMILES for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine is C/C(=C(/F)C(C)C)c1ccc(C#N)cc1.CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)/C=C/c1ccccn1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cn(C)nc1Cc1ccccc1.CC(C)c1cnn(C(C)(C)CO)c1.CC(C)c1cnn(C2COC2)c1.CCOCCn1c(C(C)(C)C)cc2ccccc21.COCCn1c(C(C)(C)C)cc2ccccc21.Cn1c(C(C)(C)C)cc2c1CCCC2.
What is the InChIKey of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The InChIKey is VQKSAHMDGBDCCX-JBMOWQAASA-N. The full InChI is InChI=1S/C16H23NO.C15H21NO.C14H18N2.C14H19NO.C13H14FN.C13H21N.C12H18N2O.C12H16O.C11H15N.C11H14O2.C10H18N2O.C10H12N2.C10H15NO2S.C10H13NO.C9H14N2O.C9H13NO2S/c1-5-18-11-10-17-14-9-7-6-8-13(14)12-15(17)16(2,3)4;1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-11(2)13-10-16(3)15-14(13)9-12-7-5-4-6-8-12;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)13(14)10(3)12-6-4-11(8-15)5-7-12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-11-12(6-9)10(3,4)7-13;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-7(2)8-3-5-9(6-4-8)13(10,11)12/h6-9,12H,5,10-11H2,1-4H3;5-8,11H,9-10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,9H,1-3H3;9H,5-8H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5-6,8,13H,7H2,1-4H3;3-8H,1-2H3;4-8,11H,1-3H3;3-7H,1-2H3,(H2,11,12);3-4,7,9H,5-6H2,1-2H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;13-10-;;;;8-7+;;;;;;;.
What are the key properties of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine has a molecular weight of 3109.44 g/mol, XLogP of 42.88, 34 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 161370755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).