1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole

C59H93N7O2S — CID 157096905

IUPAC1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.Cc1cc(C)n(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)o1.Cc1cccnc1C(C)(C)C
InChIInChI=1S/C10H15N.C9H16N2.C9H13N.C9H14O.C8H12O.C7H12N2.C7H11NS/c1-8-6-5-7-11-9(8)10(2,3)4;1-7-6-8(2)11(10-7)9(3,4)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6/h5-7H,1-4H3;6H,1-5H3;4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3
InChIKeyAFHUQXPFTGPQLA-UHFFFAOYSA-N
MW964.51 g/mol
LogP16.86
Rot. Bonds

About 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole

1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole (PubChem CID 157096905) has the molecular formula C59H93N7O2S and a molecular weight of 964.51 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
PubChem CID157096905
Molecular FormulaC59H93N7O2S
Molecular Weight964.51 g/mol
Exact Mass963.71
IUPAC Name1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.Cc1cc(C)n(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)o1.Cc1cccnc1C(C)(C)C
InChIInChI=1S/C10H15N.C9H16N2.C9H13N.C9H14O.C8H12O.C7H12N2.C7H11NS/c1-8-6-5-7-11-9(8)10(2,3)4;1-7-6-8(2)11(10-7)9(3,4)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6/h5-7H,1-4H3;6H,1-5H3;4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3
InChIKeyAFHUQXPFTGPQLA-UHFFFAOYSA-N
XLogP16.86
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.51
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

4-{3-[1-(1,3-thiazol-2-ylmethyl)-1H-pyrazol-3-yl]phenyl}furo[3,2-c]pyridine
CID 29182414
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
cumene;2-propan-2-yl-1-benzofuran;2-propan-2-ylfuran;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157157091
1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,4-ditert-butyl-3H-pyrrole;3,5-ditert-butyl-2H-pyrrole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
CID 157182796
1-Methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157392525
1,2-Dimethyl-5-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;4-propan-2-ylaniline;2-propan-2-ylfuran;5-propan-2-yl-1,3-thiazole
CID 157409228
1-(1-Benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane
CID 157430185
Cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157439072
2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-2H-pyrrole;3,4-di(propan-2-yl)-1,2-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;2,3-di(propan-2-yl)thiophene;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);bis(1-methyl-3,5-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole
CID 157522959
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1,3-xylene
CID 157577463
1,2-Dimethyl-5-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);4-propan-2-ylaniline;2-propan-2-ylfuran;5-propan-2-yl-1,3-thiazole
CID 157604148
cyclopenta-1,3-diene;ethane;furan;2-methylpyridine;3-methylpyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene;toluene
CID 157694900

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The IUPAC name of 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole (CID 157096905) is 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The canonical SMILES for 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole is CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.Cc1cc(C)n(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)o1.Cc1cccnc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The InChIKey is AFHUQXPFTGPQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H16N2.C9H13N.C9H14O.C8H12O.C7H12N2.C7H11NS/c1-8-6-5-7-11-9(8)10(2,3)4;1-7-6-8(2)11(10-7)9(3,4)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6/h5-7H,1-4H3;6H,1-5H3;4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole has a molecular weight of 964.51 g/mol, XLogP of 16.86, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 157096905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).