3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole

C100H154F15N17O — CID 165000668

IUPAC3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccn(-c2ccccc2)n1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)n1ccc(C(F)(F)F)n1.Cn1cc(C(C)(C)C)c(C(F)(F)F)n1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)c1C(F)(F)F.Cn1nc(C(C)(C)C)cc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1C(C)(C)C
InChIInChI=1S/C13H16N2.2C11H20N2.C11H19NO.C10H14F3N.3C9H13F3N2.C9H15N.C8H11F3N2/c1-13(2,3)12-9-10-15(14-12)11-7-5-4-6-8-11;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-5-6-14(4)8(7)10(11,12)13;1-8(2,3)6-5-14(4)13-7(6)9(10,11)12;1-8(2,3)7-5-6(9(10,11)12)13-14(7)4;1-8(2,3)6-5-7(9(10,11)12)14(4)13-6;1-9(2,3)8-5-6-10(4)7-8;1-7(2,3)13-5-4-6(12-13)8(9,10)11/h4-10H,1-3H3;2*7-8H,1-6H3;7H,1-6H3;5-6H,1-4H3;3*5H,1-4H3;5-7H,1-4H3;4-5H,1-3H3
InChIKeyIEZQDBJLLQMCKE-UHFFFAOYSA-N
MW1895.42 g/mol
LogP28.84
Rot. Bonds1

About 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole

3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole (PubChem CID 165000668) has the molecular formula C100H154F15N17O and a molecular weight of 1895.42 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole.

Molecular Properties

Compound Name3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
PubChem CID165000668
Molecular FormulaC100H154F15N17O
Molecular Weight1895.42 g/mol
Exact Mass1894.23
IUPAC Name3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccn(-c2ccccc2)n1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)n1ccc(C(F)(F)F)n1.Cn1cc(C(C)(C)C)c(C(F)(F)F)n1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)c1C(F)(F)F.Cn1nc(C(C)(C)C)cc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1C(C)(C)C
InChIInChI=1S/C13H16N2.2C11H20N2.C11H19NO.C10H14F3N.3C9H13F3N2.C9H15N.C8H11F3N2/c1-13(2,3)12-9-10-15(14-12)11-7-5-4-6-8-11;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-5-6-14(4)8(7)10(11,12)13;1-8(2,3)6-5-14(4)13-7(6)9(10,11)12;1-8(2,3)7-5-6(9(10,11)12)13-14(7)4;1-8(2,3)6-5-7(9(10,11)12)14(4)13-6;1-9(2,3)8-5-6-10(4)7-8;1-7(2,3)13-5-4-6(12-13)8(9,10)11/h4-10H,1-3H3;2*7-8H,1-6H3;7H,1-6H3;5-6H,1-4H3;3*5H,1-4H3;5-7H,1-4H3;4-5H,1-3H3
InChIKeyIEZQDBJLLQMCKE-UHFFFAOYSA-N
XLogP28.84
TPSA160.63 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds1
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.42
LogP ≤ 528.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

4-[(7R)-5-[difluoro-(3-methyl-1,2-oxazol-5-yl)methyl]-7-(fluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 155376357
4-Butyl-1-propan-2-ylpyrazole;4-chloro-1-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-1,2,4-triazole;1,1,1-trifluoro-2-methylpropane
CID 158459230
1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
CID 161131660
4-Tert-butyl-3-(1,1-difluoroethyl)-1-methylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1-methylpyrazole;1-tert-butyl-3-(1,1-difluoroethyl)pyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
CID 165007747
4-{[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-3,5-dimethylisoxazole
CID 50975243
3,5-Dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
CID 155899621
4,6-Dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine;5-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrazine;2-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 158607933
1,4-Ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
CID 159137052
Bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)
CID 159342822
4-Tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1,3-dimethylpyrazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;1-methyl-5-propan-2-ylindazole
CID 159659248
4-Tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole
CID 159662353
1,4-Ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
CID 160718147

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole?
The IUPAC name of 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole (CID 165000668) is 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole.
What is the SMILES notation for 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole?
The canonical SMILES for 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccn(-c2ccccc2)n1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)n1ccc(C(F)(F)F)n1.Cn1cc(C(C)(C)C)c(C(F)(F)F)n1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)c1C(F)(F)F.Cn1nc(C(C)(C)C)cc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole?
The InChIKey is IEZQDBJLLQMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.2C11H20N2.C11H19NO.C10H14F3N.3C9H13F3N2.C9H15N.C8H11F3N2/c1-13(2,3)12-9-10-15(14-12)11-7-5-4-6-8-11;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-5-6-14(4)8(7)10(11,12)13;1-8(2,3)6-5-14(4)13-7(6)9(10,11)12;1-8(2,3)7-5-6(9(10,11)12)13-14(7)4;1-8(2,3)6-5-7(9(10,11)12)14(4)13-6;1-9(2,3)8-5-6-10(4)7-8;1-7(2,3)13-5-4-6(12-13)8(9,10)11/h4-10H,1-3H3;2*7-8H,1-6H3;7H,1-6H3;5-6H,1-4H3;3*5H,1-4H3;5-7H,1-4H3;4-5H,1-3H3.
What are the key properties of 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole?
3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole has a molecular weight of 1895.42 g/mol, XLogP of 28.84, 1 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole is sourced from PubChem (CID 165000668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).