4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one

C161H231F4N17O2S — CID 157365509

IUPAC4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCC(C)(C)C1=C(C2CC2)CN=C1C1CC1.CC(C)(C)C1C(=O)Nc2ccccc21.CC(C)(C)N1C(=O)CCC1C(F)(F)F.CC(C)(C)c1ccc2ccccn12.CC(C)(C)c1cn[nH]c1-c1ccc(F)cc1.CC(C)(C)n1ccc2c1CCCC2.CC(C)(C)n1ccc2ccccc21.CC1=NCC(C2CC2)=C1C(C)(C)C.Cc1[nH]nc(-c2ccccc2)c1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)n1.Cc1cc2ccccc2n1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncn(C)c1C(C)(C)C
InChIInChI=1S/C14H18N2.C14H21N.C13H15FN2.C13H17N.C12H15NO.C12H19N.C12H15N.C12H19N.C12H15N.C11H16.C9H14F3NO.2C9H16N2.C9H15NS/c1-10-12(14(2,3)4)13(16-15-10)11-8-6-5-7-9-11;1-14(2,3)12-11(9-4-5-9)8-15-13(12)10-6-7-10;1-13(2,3)11-8-15-16-12(11)9-4-6-10(14)7-5-9;1-10-9-11-7-5-6-8-12(11)14(10)13(2,3)4;1-12(2,3)10-8-6-4-5-7-9(8)13-11(10)14;1-8-11(12(2,3)4)10(7-13-8)9-5-6-9;1-12(2,3)11-8-7-10-6-4-5-9-13(10)11;2*1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-9-7-5-6-8-10(9)11(2,3)4;1-8(2,3)13-6(9(10,11)12)4-5-7(13)14;1-7-8(9(2,3)4)11(5)6-10-7;1-7-6-8(2)11(10-7)9(3,4)5;1-6-8(9(3,4)5)11-7(2)10-6/h5-9H,1-4H3,(H,15,16);9-10H,4-8H2,1-3H3;4-8H,1-3H3,(H,15,16);5-9H,1-4H3;4-7,10H,1-3H3,(H,13,14);9H,5-7H2,1-4H3;4-9H,1-3H3;8-9H,4-7H2,1-3H3;4-9H,1-3H3;5-8H,1-4H3;6H,4-5H2,1-3H3;2*6H,1-5H3;1-5H3
InChIKeyBJCZZDZEQXVGAI-UHFFFAOYSA-N
MW2544.79 g/mol
LogP43.21
Rot. Bonds5

About 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one

4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 157365509) has the molecular formula C161H231F4N17O2S and a molecular weight of 2544.79 g/mol. Its IUPAC name is 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID157365509
Molecular FormulaC161H231F4N17O2S
Molecular Weight2544.79 g/mol
Exact Mass2542.82
IUPAC Name4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCC(C)(C)C1=C(C2CC2)CN=C1C1CC1.CC(C)(C)C1C(=O)Nc2ccccc21.CC(C)(C)N1C(=O)CCC1C(F)(F)F.CC(C)(C)c1ccc2ccccn12.CC(C)(C)c1cn[nH]c1-c1ccc(F)cc1.CC(C)(C)n1ccc2c1CCCC2.CC(C)(C)n1ccc2ccccc21.CC1=NCC(C2CC2)=C1C(C)(C)C.Cc1[nH]nc(-c2ccccc2)c1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)n1.Cc1cc2ccccc2n1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncn(C)c1C(C)(C)C
InChIInChI=1S/C14H18N2.C14H21N.C13H15FN2.C13H17N.C12H15NO.C12H19N.C12H15N.C12H19N.C12H15N.C11H16.C9H14F3NO.2C9H16N2.C9H15NS/c1-10-12(14(2,3)4)13(16-15-10)11-8-6-5-7-9-11;1-14(2,3)12-11(9-4-5-9)8-15-13(12)10-6-7-10;1-13(2,3)11-8-15-16-12(11)9-4-6-10(14)7-5-9;1-10-9-11-7-5-6-8-12(11)14(10)13(2,3)4;1-12(2,3)10-8-6-4-5-7-9(8)13-11(10)14;1-8-11(12(2,3)4)10(7-13-8)9-5-6-9;1-12(2,3)11-8-7-10-6-4-5-9-13(10)11;2*1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-9-7-5-6-8-10(9)11(2,3)4;1-8(2,3)13-6(9(10,11)12)4-5-7(13)14;1-7-8(9(2,3)4)11(5)6-10-7;1-7-6-8(2)11(10-7)9(3,4)5;1-6-8(9(3,4)5)11-7(2)10-6/h5-9H,1-4H3,(H,15,16);9-10H,4-8H2,1-3H3;4-8H,1-3H3,(H,15,16);5-9H,1-4H3;4-7,10H,1-3H3,(H,13,14);9H,5-7H2,1-4H3;4-9H,1-3H3;8-9H,4-7H2,1-3H3;4-9H,1-3H3;5-8H,1-4H3;6H,4-5H2,1-3H3;2*6H,1-5H3;1-5H3
InChIKeyBJCZZDZEQXVGAI-UHFFFAOYSA-N
XLogP43.21
TPSA199.22 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002544.79
LogP ≤ 543.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one (CID 157365509) is 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one is CC(C)(C)C1=C(C2CC2)CN=C1C1CC1.CC(C)(C)C1C(=O)Nc2ccccc21.CC(C)(C)N1C(=O)CCC1C(F)(F)F.CC(C)(C)c1ccc2ccccn12.CC(C)(C)c1cn[nH]c1-c1ccc(F)cc1.CC(C)(C)n1ccc2c1CCCC2.CC(C)(C)n1ccc2ccccc21.CC1=NCC(C2CC2)=C1C(C)(C)C.Cc1[nH]nc(-c2ccccc2)c1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)n1.Cc1cc2ccccc2n1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncn(C)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is BJCZZDZEQXVGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C14H21N.C13H15FN2.C13H17N.C12H15NO.C12H19N.C12H15N.C12H19N.C12H15N.C11H16.C9H14F3NO.2C9H16N2.C9H15NS/c1-10-12(14(2,3)4)13(16-15-10)11-8-6-5-7-9-11;1-14(2,3)12-11(9-4-5-9)8-15-13(12)10-6-7-10;1-13(2,3)11-8-15-16-12(11)9-4-6-10(14)7-5-9;1-10-9-11-7-5-6-8-12(11)14(10)13(2,3)4;1-12(2,3)10-8-6-4-5-7-9(8)13-11(10)14;1-8-11(12(2,3)4)10(7-13-8)9-5-6-9;1-12(2,3)11-8-7-10-6-4-5-9-13(10)11;2*1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-9-7-5-6-8-10(9)11(2,3)4;1-8(2,3)13-6(9(10,11)12)4-5-7(13)14;1-7-8(9(2,3)4)11(5)6-10-7;1-7-6-8(2)11(10-7)9(3,4)5;1-6-8(9(3,4)5)11-7(2)10-6/h5-9H,1-4H3,(H,15,16);9-10H,4-8H2,1-3H3;4-8H,1-3H3,(H,15,16);5-9H,1-4H3;4-7,10H,1-3H3,(H,13,14);9H,5-7H2,1-4H3;4-9H,1-3H3;8-9H,4-7H2,1-3H3;4-9H,1-3H3;5-8H,1-4H3;6H,4-5H2,1-3H3;2*6H,1-5H3;1-5H3.
What are the key properties of 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one?
4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 2544.79 g/mol, XLogP of 43.21, 5 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole;4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole;3-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1,4-dimethylimidazole;1-tert-butyl-3,5-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;1-tert-butylindole;3-tert-butylindolizine;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;1-tert-butyl-4,5,6,7-tetrahydroindole;1-tert-butyl-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 157365509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).