1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane

C201H311F4N17O6S3 — CID 160724162

IUPAC1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane
SMILESCC(C)(C)C(F)(F)F.CC(C)(C)C1C2CCCCC21.CC(C)(C)C1CC1(C)C.CC(C)(C)C1CC1c1ccccc1.CC(C)(C)C1CCCCCC1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1N.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.Cc1cccc(F)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C
InChIInChI=1S/C15H17N.C14H18N2.C13H18.C12H22N2.C11H15F.C11H13NO.C11H17NS.C11H13NS.C11H16O.C11H20.C11H22.C10H18N2O.C10H18N2.C10H15NO2S.C10H15N.C9H15NO.C9H18.C7H12N2.C5H9F3/c1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-13(2,3)12-9-11(12)10-7-5-4-6-8-10;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-8-6-5-7-9(12)10(8)11(2,3)4;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)10-8-6-4-5-7-9(8)10;1-11(2,3)10-8-6-4-5-7-9-10;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)11;1-6-8(9(3,4)5)7(2)11-10-6;1-8(2,3)7-6-9(7,4)5;1-7(2,3)6-4-8-9-5-6;1-4(2,3)5(6,7)8/h4-11H,1-3H3;4-9,11H,10H2,1-3H3;4-8,11-12H,9H2,1-3H3;7-10H,1-6H3;5-7H,1-4H3;4-7H,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;8-10H,4-7H2,1-3H3;10H,4-9H2,1-3H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;4-7H,1-3H3,(H2,11,12,13);4-7H,11H2,1-3H3;1-5H3;7H,6H2,1-5H3;4-5H,1-3H3,(H,8,9);1-3H3
InChIKeyRTMHFGHDHKYBFA-UHFFFAOYSA-N
MW3234.00 g/mol
LogP57.20
Rot. Bonds12

About 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane

1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane (PubChem CID 160724162) has the molecular formula C201H311F4N17O6S3 and a molecular weight of 3234.00 g/mol. Its IUPAC name is 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane.

Molecular Properties

Compound Name1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane
PubChem CID160724162
Molecular FormulaC201H311F4N17O6S3
Molecular Weight3234.00 g/mol
Exact Mass3231.37
IUPAC Name1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane
SMILESCC(C)(C)C(F)(F)F.CC(C)(C)C1C2CCCCC21.CC(C)(C)C1CC1(C)C.CC(C)(C)C1CC1c1ccccc1.CC(C)(C)C1CCCCCC1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1N.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.Cc1cccc(F)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C
InChIInChI=1S/C15H17N.C14H18N2.C13H18.C12H22N2.C11H15F.C11H13NO.C11H17NS.C11H13NS.C11H16O.C11H20.C11H22.C10H18N2O.C10H18N2.C10H15NO2S.C10H15N.C9H15NO.C9H18.C7H12N2.C5H9F3/c1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-13(2,3)12-9-11(12)10-7-5-4-6-8-10;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-8-6-5-7-9(12)10(8)11(2,3)4;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)10-8-6-4-5-7-9(8)10;1-11(2,3)10-8-6-4-5-7-9-10;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)11;1-6-8(9(3,4)5)7(2)11-10-6;1-8(2,3)7-6-9(7,4)5;1-7(2,3)6-4-8-9-5-6;1-4(2,3)5(6,7)8/h4-11H,1-3H3;4-9,11H,10H2,1-3H3;4-8,11-12H,9H2,1-3H3;7-10H,1-6H3;5-7H,1-4H3;4-7H,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;8-10H,4-7H2,1-3H3;10H,4-9H2,1-3H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;4-7H,1-3H3,(H2,11,12,13);4-7H,11H2,1-3H3;1-5H3;7H,6H2,1-5H3;4-5H,1-3H3,(H,8,9);1-3H3
InChIKeyRTMHFGHDHKYBFA-UHFFFAOYSA-N
XLogP57.20
TPSA295.33 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003234.00
LogP ≤ 557.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane with MolForge

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Launch Full Analysis

Related Compounds

6-(2,7-Dimethylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3-benzothiazole;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole;6-(2-methylindazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
CID 159294117

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane?
The IUPAC name of 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane (CID 160724162) is 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane.
What is the SMILES notation for 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane?
The canonical SMILES for 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane is CC(C)(C)C(F)(F)F.CC(C)(C)C1C2CCCCC21.CC(C)(C)C1CC1(C)C.CC(C)(C)C1CC1c1ccccc1.CC(C)(C)C1CCCCCC1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)(C)c1ccccc1N.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.Cc1cccc(F)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.
What is the InChIKey of 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane?
The InChIKey is RTMHFGHDHKYBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C14H18N2.C13H18.C12H22N2.C11H15F.C11H13NO.C11H17NS.C11H13NS.C11H16O.C11H20.C11H22.C10H18N2O.C10H18N2.C10H15NO2S.C10H15N.C9H15NO.C9H18.C7H12N2.C5H9F3/c1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-13(2,3)12-9-11(12)10-7-5-4-6-8-10;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-8-6-5-7-9(12)10(8)11(2,3)4;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)10-8-6-4-5-7-9(8)10;1-11(2,3)10-8-6-4-5-7-9-10;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;1-10(2,3)8-6-4-5-7-9(8)11;1-6-8(9(3,4)5)7(2)11-10-6;1-8(2,3)7-6-9(7,4)5;1-7(2,3)6-4-8-9-5-6;1-4(2,3)5(6,7)8/h4-11H,1-3H3;4-9,11H,10H2,1-3H3;4-8,11-12H,9H2,1-3H3;7-10H,1-6H3;5-7H,1-4H3;4-7H,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;8-10H,4-7H2,1-3H3;10H,4-9H2,1-3H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;4-7H,1-3H3,(H2,11,12,13);4-7H,11H2,1-3H3;1-5H3;7H,6H2,1-5H3;4-5H,1-3H3,(H,8,9);1-3H3.
What are the key properties of 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane?
1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane has a molecular weight of 3234.00 g/mol, XLogP of 57.20, 12 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butylpyrazole;2-tert-butylaniline;3-tert-butylbenzenesulfonamide;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;7-tert-butylbicyclo[4.1.0]heptane;tert-butylcycloheptane;(2-tert-butylcyclopropyl)benzene;2-tert-butyl-1,1-dimethylcyclopropane;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butyl-1-fluoro-3-methylbenzene;1-tert-butyl-3-methoxybenzene;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;3-(3-tert-butylphenyl)pyridine;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;1,1,1-trifluoro-2,2-dimethylpropane is sourced from PubChem (CID 160724162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).