3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine

C148H235FN12O4 — CID 165044284

IUPAC3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine
SMILESCC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)O)n1.CC(C)(C)c1ccn(C2CC2)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1nccn1C(C)(C)C.CC(C)n1cc(C(C)(C)C)cn1.CN(C)C(=O)Cc1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.COCC(C)(C)c1cccc(C(C)(C)C)n1
InChIInChI=1S/C14H23NO.C14H21NO.2C14H22.C13H19NO.2C13H21N.C12H19NO.C11H20N2.C10H13F.C10H16N2.C10H18N2/c1-13(2,3)11-8-7-9-12(15-11)14(4,5)10-16-6;1-14(2,3)12-8-6-7-11(9-12)10-13(16)15(4)5;2*1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-11(2,3)9-7-6-8-10(13-9)12(4,5)14;1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-6-7-12(11-9)8-4-5-8;1-8(2)12-7-9(6-11-12)10(3,4)5/h7-9H,10H2,1-6H3;6-9H,10H2,1-5H3;2*7-10H,1-6H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,10H2,1-5H3;6-8,14H,1-5H3;7-8H,1-6H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3
InChIKeyOQFAWZGACHNARO-UHFFFAOYSA-N
MW2265.59 g/mol
LogP37.83
Rot. Bonds11

About 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine

3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine (PubChem CID 165044284) has the molecular formula C148H235FN12O4 and a molecular weight of 2265.59 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine
PubChem CID165044284
Molecular FormulaC148H235FN12O4
Molecular Weight2265.59 g/mol
Exact Mass2263.85
IUPAC Name3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine
SMILESCC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)O)n1.CC(C)(C)c1ccn(C2CC2)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1nccn1C(C)(C)C.CC(C)n1cc(C(C)(C)C)cn1.CN(C)C(=O)Cc1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.COCC(C)(C)c1cccc(C(C)(C)C)n1
InChIInChI=1S/C14H23NO.C14H21NO.2C14H22.C13H19NO.2C13H21N.C12H19NO.C11H20N2.C10H13F.C10H16N2.C10H18N2/c1-13(2,3)11-8-7-9-12(15-11)14(4,5)10-16-6;1-14(2,3)12-8-6-7-11(9-12)10-13(16)15(4)5;2*1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-11(2,3)9-7-6-8-10(13-9)12(4,5)14;1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-6-7-12(11-9)8-4-5-8;1-8(2)12-7-9(6-11-12)10(3,4)5/h7-9H,10H2,1-6H3;6-9H,10H2,1-5H3;2*7-10H,1-6H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,10H2,1-5H3;6-8,14H,1-5H3;7-8H,1-6H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3
InChIKeyOQFAWZGACHNARO-UHFFFAOYSA-N
XLogP37.83
TPSA165.45 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002265.59
LogP ≤ 537.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine with MolForge

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Related Compounds

4-[4-[4-[5-[[3-[[4-[4-[4-[5-[(4-Fluorophenyl)-hydroxymethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]benzamide
CID 123843477
N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol
CID 158443461
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-hydroxy-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]pentan-2-one
CID 159469461
4-[4-[4-[5-[[3-[[4-[4-[4-[5-[(R)-(4-fluorophenyl)-hydroxymethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]benzamide
CID 164125968
7-[Hydroxy-(3-tritylimidazol-4-yl)methyl]-2-(6-methylisoquinolin-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 167314509
6-[[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]piperidin-4-yl]methyl]-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171811664
2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine
CID 161356851
N-cyclopropyl-4-[6-[2-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 162256147
3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole;methane
CID 165111357

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine?
The IUPAC name of 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine (CID 165044284) is 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine.
What is the SMILES notation for 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine?
The canonical SMILES for 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine is CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(C(C)(C)O)n1.CC(C)(C)c1ccn(C2CC2)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1nccn1C(C)(C)C.CC(C)n1cc(C(C)(C)C)cn1.CN(C)C(=O)Cc1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.COCC(C)(C)c1cccc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine?
The InChIKey is OQFAWZGACHNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C14H21NO.2C14H22.C13H19NO.2C13H21N.C12H19NO.C11H20N2.C10H13F.C10H16N2.C10H18N2/c1-13(2,3)11-8-7-9-12(15-11)14(4,5)10-16-6;1-14(2,3)12-8-6-7-11(9-12)10-13(16)15(4)5;2*1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-11(2,3)9-7-6-8-10(13-9)12(4,5)14;1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-6-7-12(11-9)8-4-5-8;1-8(2)12-7-9(6-11-12)10(3,4)5/h7-9H,10H2,1-6H3;6-9H,10H2,1-5H3;2*7-10H,1-6H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,10H2,1-5H3;6-8,14H,1-5H3;7-8H,1-6H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3.
What are the key properties of 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine?
3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine has a molecular weight of 2265.59 g/mol, XLogP of 37.83, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopropylpyrazole;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;2-tert-butyl-6-(1-methoxy-2-methylpropan-2-yl)pyridine;2-(3-tert-butylphenyl)-N,N-dimethylacetamide;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4-tert-butyl-1-propan-2-ylpyrazole;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;bis(1,3-ditert-butylbenzene);1,2-ditert-butylimidazole;2,4-ditert-butylpyridine is sourced from PubChem (CID 165044284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).