tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole

C189H315N37O2S3 — CID 157303462

IUPACtert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1cccn1C(=O)OC(C)(C)C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CCCn1nccc1C(C)C.CCn1nccc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)c(C)s1.Cc1cn[nH]c1C(C)C.Cc1cscc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1sccc1C(C)C
InChIInChI=1S/C12H19NO2.C10H16N2.3C9H16N2.C9H14S.3C8H14N2.2C8H13N.2C8H12S.7C7H12N2.2C7H11N.2C6H10N2/c1-9(2)10-7-6-8-13(10)11(14)15-12(3,4)5;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-4-7-11-9(8(2)3)5-6-10-11;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-4-10-8(7(2)3)5-6-9-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)8-5-9-4-7(8)3;1-6(2)8-4-5-9-7(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-5(2)7-4-8-9-6(7)3;1-5(2)7-6(3)4-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h6-9H,1-5H3;6-8,10H,3-5H2,1-2H3;5-8H,1-4H3;6H,1-5H3;5-6,8H,4,7H2,1-3H3;3*5-6H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;6*4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);2*3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyBCECMIURTKGNPD-UHFFFAOYSA-N
MW3234.06 g/mol
LogP52.21
Rot. Bonds29

About tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole

tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 157303462) has the molecular formula C189H315N37O2S3 and a molecular weight of 3234.06 g/mol. Its IUPAC name is tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Nametert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID157303462
Molecular FormulaC189H315N37O2S3
Molecular Weight3234.06 g/mol
Exact Mass3231.48
IUPAC Nametert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1cccn1C(=O)OC(C)(C)C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CCCn1nccc1C(C)C.CCn1nccc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)c(C)s1.Cc1cn[nH]c1C(C)C.Cc1cscc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1sccc1C(C)C
InChIInChI=1S/C12H19NO2.C10H16N2.3C9H16N2.C9H14S.3C8H14N2.2C8H13N.2C8H12S.7C7H12N2.2C7H11N.2C6H10N2/c1-9(2)10-7-6-8-13(10)11(14)15-12(3,4)5;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-4-7-11-9(8(2)3)5-6-10-11;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-4-10-8(7(2)3)5-6-9-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)8-5-9-4-7(8)3;1-6(2)8-4-5-9-7(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-5(2)7-4-8-9-6(7)3;1-5(2)7-6(3)4-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h6-9H,1-5H3;6-8,10H,3-5H2,1-2H3;5-8H,1-4H3;6H,1-5H3;5-6,8H,4,7H2,1-3H3;3*5-6H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;6*4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);2*3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyBCECMIURTKGNPD-UHFFFAOYSA-N
XLogP52.21
TPSA412.09 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003234.06
LogP ≤ 552.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(2S)-1-[2-[3-[4-[6-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 68329250
methyl N-[1-[2-[3-[4-[6-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123551677
ethane;5-[4-[6-[4-(1H-imidazol-5-yl)phenyl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-pyrazole;methyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide;propane
CID 144205978
5-[4-[6-[4-(1H-imidazol-5-yl)phenyl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-pyrazole;methyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide;propane
CID 144206244
2-hydrazinyl-1-pyrrolidin-1-ylethanone;5-[4-[6-[4-(1H-imidazol-5-yl)phenyl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-pyrazole;methyl formate;N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide;propane
CID 144452481
tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;1,3-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-2-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;2-fluoro-5-propan-2-ylthiophene;1-methyl-5-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1-propylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157158497
N-[2-(1H-imidazol-5-yl)ethyl]formamide;N-[2-(2-methyl-1H-pyrazol-2-ium-3-yl)ethyl]formamide;N-[2-(1-methylpyrazol-3-yl)ethyl]formamide;N-(1-methylpyrazol-3-yl)formamide;N-(1-methylpyrazol-4-yl)formamide;N-(2-methylpyrazol-3-yl)formamide;N-[(1-methylpyrazol-4-yl)methyl]formamide;N-methyl-N-(thiophen-3-ylmethyl)formamide;N-(1H-pyrazol-5-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide;N-(thiophen-3-ylmethyl)formamide
CID 157476836
1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;1-methylimidazole;1-methylpyrazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole
CID 157989852
1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole
CID 158058013
1-butyl-4-tert-butylpyrazole;4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-1-cyclopentylpyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(methoxymethyl)pyrazole;4-tert-butyl-1-(3-methoxypropyl)pyrazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylethanamine;2-(4-tert-butylpyrazol-1-yl)ethanol;1-(4-tert-butylpyrazol-1-yl)ethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;2-tert-butylthiophene
CID 158216282
5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,2-thiazole;3-tert-butylthiophene;3,3-dimethylbut-1-ene;4,4-dimethylpent-1-ene;bis(4,4-dimethylpent-1-yne);2,2-dimethylpropylcyclopropane;methane
CID 158664943
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine;1-[2-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]ethyl]imidazolidin-2-one
CID 158885182

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 157303462) is tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1cccn1C(=O)OC(C)(C)C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CCCn1nccc1C(C)C.CCn1nccc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)c(C)s1.Cc1cn[nH]c1C(C)C.Cc1cscc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1sccc1C(C)C.
What is the InChIKey of tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is BCECMIURTKGNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C10H16N2.3C9H16N2.C9H14S.3C8H14N2.2C8H13N.2C8H12S.7C7H12N2.2C7H11N.2C6H10N2/c1-9(2)10-7-6-8-13(10)11(14)15-12(3,4)5;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-4-7-11-9(8(2)3)5-6-10-11;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-4-10-8(7(2)3)5-6-9-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)8-5-9-4-7(8)3;1-6(2)8-4-5-9-7(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-5(2)7-4-8-9-6(7)3;1-5(2)7-6(3)4-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h6-9H,1-5H3;6-8,10H,3-5H2,1-2H3;5-8H,1-4H3;6H,1-5H3;5-6,8H,4,7H2,1-3H3;3*5-6H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;6*4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);2*3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 3234.06 g/mol, XLogP of 52.21, 29 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propan-2-ylpyrrole-1-carboxylate;1-cyclobutyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylthiophene;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 157303462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).