3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate

C249H432F2N49O14+ — CID 157374887

IUPAC3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate
SMILESCC(=O)c1nc(C(C)(C)C)no1.CC(=O)c1noc(C(C)(C)C)n1.CC(C)(C)C1=CC=CC1.CC(C)(C)c1c[nH][n+](C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccccc1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)n1cnc(C2CC2)n1.CC(C)C1=NN=C(C(C)(C)C)C1.CC(C)CC1=NN=C(C(C)(C)C)C1.CC(C)c1ncn(C(C)(C)C)n1.CC(F)(F)c1ncn(C(C)(C)C)n1.CCC(C)C1=NN=C(C(C)(C)C)C1.CCc1ccn(C(C)(C)C)n1.CCc1cnn(C(C)(C)C)c1.CCc1ncn(C(C)(C)C)n1.COC(=O)c1ncn(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1
InChIInChI=1S/5C11H20N2.3C11H19NO.C10H19N3.3C10H18N2O.C10H18N2.C10H14.C9H15N3.C9H17N3.2C9H16N2.C9H14.C8H13F2N3.C8H13N3O2.C8H15N3.2C8H12N2O2.2C8H13NO/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)6-9-7-10(13-12-9)11(3,4)5;1-6-8(2)9-7-10(13-12-9)11(3,4)5;1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-11-7-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-7(2)8-6-9(12-11-8)10(3,4)5;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)12-6-10-8(11-12)7-4-5-7;1-7(2)8-10-6-12(11-8)9(3,4)5;1-5-8-6-10-11(7-8)9(2,3)4;1-5-8-6-7-11(10-8)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-7(2,3)13-5-11-6(12-13)8(4,9)10;1-8(2,3)11-5-9-6(10-11)7(12)13-4;1-5-7-9-6-11(10-7)8(2,3)4;1-5(11)6-9-7(10-12-6)8(2,3)4;1-5(11)6-9-7(12-10-6)8(2,3)4;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h2*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*8H,6-7H2,1-5H3;4*7H,1-6H3;3*1-6H3;7H,6H2,1-5H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;6-7H,1-5H3;2*6-7H,5H2,1-4H3;4-6H,7H2,1-3H3;2*5H,1-4H3;6H,5H2,1-4H3;2*1-4H3;2*5H,1-4H3/p+1
InChIKeyIRPXENZFYBDHTQ-UHFFFAOYSA-O
MW4374.52 g/mol
LogP64.51
Rot. Bonds14

About 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate

3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate (PubChem CID 157374887) has the molecular formula C249H432F2N49O14+ and a molecular weight of 4374.52 g/mol. Its IUPAC name is 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Name3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate
PubChem CID157374887
Molecular FormulaC249H432F2N49O14+
Molecular Weight4374.52 g/mol
Exact Mass4371.46
IUPAC Name3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate
SMILESCC(=O)c1nc(C(C)(C)C)no1.CC(=O)c1noc(C(C)(C)C)n1.CC(C)(C)C1=CC=CC1.CC(C)(C)c1c[nH][n+](C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccccc1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)n1cnc(C2CC2)n1.CC(C)C1=NN=C(C(C)(C)C)C1.CC(C)CC1=NN=C(C(C)(C)C)C1.CC(C)c1ncn(C(C)(C)C)n1.CC(F)(F)c1ncn(C(C)(C)C)n1.CCC(C)C1=NN=C(C(C)(C)C)C1.CCc1ccn(C(C)(C)C)n1.CCc1cnn(C(C)(C)C)c1.CCc1ncn(C(C)(C)C)n1.COC(=O)c1ncn(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1
InChIInChI=1S/5C11H20N2.3C11H19NO.C10H19N3.3C10H18N2O.C10H18N2.C10H14.C9H15N3.C9H17N3.2C9H16N2.C9H14.C8H13F2N3.C8H13N3O2.C8H15N3.2C8H12N2O2.2C8H13NO/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)6-9-7-10(13-12-9)11(3,4)5;1-6-8(2)9-7-10(13-12-9)11(3,4)5;1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-11-7-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-7(2)8-6-9(12-11-8)10(3,4)5;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)12-6-10-8(11-12)7-4-5-7;1-7(2)8-10-6-12(11-8)9(3,4)5;1-5-8-6-10-11(7-8)9(2,3)4;1-5-8-6-7-11(10-8)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-7(2,3)13-5-11-6(12-13)8(4,9)10;1-8(2,3)11-5-9-6(10-11)7(12)13-4;1-5-7-9-6-11(10-7)8(2,3)4;1-5(11)6-9-7(10-12-6)8(2,3)4;1-5(11)6-9-7(12-10-6)8(2,3)4;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h2*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*8H,6-7H2,1-5H3;4*7H,1-6H3;3*1-6H3;7H,6H2,1-5H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;6-7H,1-5H3;2*6-7H,5H2,1-4H3;4-6H,7H2,1-3H3;2*5H,1-4H3;6H,5H2,1-4H3;2*1-4H3;2*5H,1-4H3/p+1
InChIKeyIRPXENZFYBDHTQ-UHFFFAOYSA-O
XLogP64.51
TPSA745.42 Ų
H-Bond Donors2
H-Bond Acceptors60
Rotatable Bonds14
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004374.52
LogP ≤ 564.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1060

Analyze 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)
CID 159534240
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;4-tert-butyl-2-methyltriazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-thiazole
CID 160817487
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane
CID 157106927
4-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-3H-pyrrole;3-tert-butyl-5-methyl-1H-pyrazole
CID 157785991
6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-2H-tetrazole);4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158022019
CID 158024979
CID 158024979
bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1H-imidazole;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)pyrazole;3,5-bis(2,2-dimethylpropyl)-1H-pyrazole;2,4-bis(2,2-dimethylpropyl)-3H-pyrrole;1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;2,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 158153375
1-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;1-tert-butyltetrazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-4H-triazole
CID 158187774
2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole
CID 158223765
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);bis(1,5-dimethylpyrazole);bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);2,5-dimethyltetrazole;1,5-dimethyl-2H-tetrazol-1-ium;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole
CID 158267241
2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 158350519
2,5-dimethyl-3-propan-2-yl-1H-pyrazol-2-ium;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole
CID 159108525

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate (CID 157374887) is 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate is CC(=O)c1nc(C(C)(C)C)no1.CC(=O)c1noc(C(C)(C)C)n1.CC(C)(C)C1=CC=CC1.CC(C)(C)c1c[nH][n+](C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccccc1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)n1cnc(C2CC2)n1.CC(C)C1=NN=C(C(C)(C)C)C1.CC(C)CC1=NN=C(C(C)(C)C)C1.CC(C)c1ncn(C(C)(C)C)n1.CC(F)(F)c1ncn(C(C)(C)C)n1.CCC(C)C1=NN=C(C(C)(C)C)C1.CCc1ccn(C(C)(C)C)n1.CCc1cnn(C(C)(C)C)c1.CCc1ncn(C(C)(C)C)n1.COC(=O)c1ncn(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.
What is the InChIKey of 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate?
The InChIKey is IRPXENZFYBDHTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/5C11H20N2.3C11H19NO.C10H19N3.3C10H18N2O.C10H18N2.C10H14.C9H15N3.C9H17N3.2C9H16N2.C9H14.C8H13F2N3.C8H13N3O2.C8H15N3.2C8H12N2O2.2C8H13NO/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)6-9-7-10(13-12-9)11(3,4)5;1-6-8(2)9-7-10(13-12-9)11(3,4)5;1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-11-7-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-7(2)8-6-9(12-11-8)10(3,4)5;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)12-6-10-8(11-12)7-4-5-7;1-7(2)8-10-6-12(11-8)9(3,4)5;1-5-8-6-10-11(7-8)9(2,3)4;1-5-8-6-7-11(10-8)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-7(2,3)13-5-11-6(12-13)8(4,9)10;1-8(2,3)11-5-9-6(10-11)7(12)13-4;1-5-7-9-6-11(10-7)8(2,3)4;1-5(11)6-9-7(10-12-6)8(2,3)4;1-5(11)6-9-7(12-10-6)8(2,3)4;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h2*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*8H,6-7H2,1-5H3;4*7H,1-6H3;3*1-6H3;7H,6H2,1-5H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;6-7H,1-5H3;2*6-7H,5H2,1-4H3;4-6H,7H2,1-3H3;2*5H,1-4H3;6H,5H2,1-4H3;2*1-4H3;2*5H,1-4H3/p+1.
What are the key properties of 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate?
3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate has a molecular weight of 4374.52 g/mol, XLogP of 64.51, 14 rotatable bonds, 2 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 157374887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).