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

C185H321N37O7S — CID 158216282

IUPAC1-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
SMILESCC(=O)n1cc(C(C)(C)C)cn1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnn(C2CCC2)c1.CC(C)(C)c1cnn(C2CCCC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnn(CCO)c1.CC(C)n1cc(C(C)(C)C)cn1.CCCCn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN(C)CCn1cc(C(C)(C)C)cn1.COCCCn1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)cn1.COCn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C13H23N3O.C12H20N2O.C12H20N2.C11H21N3.C11H20N2O.C11H18N2.C11H20N2.C10H18N2O.C10H18N2.C9H16N2O.C9H14N2O.C9H16N2O.C9H16N2.C9H15N.3C8H14N2.C8H12S.C7H12N2/c1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-12(2,3)10-8-13-14(9-10)11-6-4-5-7-11;1-11(2,3)10-8-12-14(9-10)7-6-13(4)5;1-11(2,3)10-8-12-13(9-10)6-5-7-14-4;1-11(2,3)9-7-12-13(8-9)10-5-4-6-10;1-5-6-7-13-9-10(8-12-13)11(2,3)4;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-9(2,3)8-5-10-11(6-8)7-12-4;1-7(12)11-6-8(5-10-11)9(2,3)4;1-9(2,3)8-6-10-11(7-8)4-5-12;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6/h10-11H,4-9H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7-8,10H,4-6H2,1-3H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;5-6H,7H2,1-4H3;5-6H,1-4H3;6-7,12H,4-5H2,1-3H3;6-7H,5H2,1-4H3;5-7H,1-4H3;3*5-6H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyGCRPHLSDFOSKJJ-UHFFFAOYSA-N
MW3207.92 g/mol
LogP41.00
Rot. Bonds25

About 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

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 (PubChem CID 158216282) has the molecular formula C185H321N37O7S and a molecular weight of 3207.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158216282
Molecular FormulaC185H321N37O7S
Molecular Weight3207.92 g/mol
Exact Mass3205.56
IUPAC Name1-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
SMILESCC(=O)n1cc(C(C)(C)C)cn1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnn(C2CCC2)c1.CC(C)(C)c1cnn(C2CCCC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnn(CCO)c1.CC(C)n1cc(C(C)(C)C)cn1.CCCCn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN(C)CCn1cc(C(C)(C)C)cn1.COCCCn1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)cn1.COCn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C13H23N3O.C12H20N2O.C12H20N2.C11H21N3.C11H20N2O.C11H18N2.C11H20N2.C10H18N2O.C10H18N2.C9H16N2O.C9H14N2O.C9H16N2O.C9H16N2.C9H15N.3C8H14N2.C8H12S.C7H12N2/c1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-12(2,3)10-8-13-14(9-10)11-6-4-5-7-11;1-11(2,3)10-8-12-14(9-10)7-6-13(4)5;1-11(2,3)10-8-12-13(9-10)6-5-7-14-4;1-11(2,3)9-7-12-13(8-9)10-5-4-6-10;1-5-6-7-13-9-10(8-12-13)11(2,3)4;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-9(2,3)8-5-10-11(6-8)7-12-4;1-7(12)11-6-8(5-10-11)9(2,3)4;1-9(2,3)8-6-10-11(7-8)4-5-12;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6/h10-11H,4-9H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7-8,10H,4-6H2,1-3H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;5-6H,7H2,1-4H3;5-6H,1-4H3;6-7,12H,4-5H2,1-3H3;6-7H,5H2,1-4H3;5-7H,1-4H3;3*5-6H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyGCRPHLSDFOSKJJ-UHFFFAOYSA-N
XLogP41.00
TPSA408.66 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds25
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003207.92
LogP ≤ 541.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)n1cc(C(C)(C)C)cn1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnn(C2CCC2)c1.CC(C)(C)c1cnn(C2CCCC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(C)c1cnn(CCO)c1.CC(C)n1cc(C(C)(C)C)cn1.CCCCn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN(C)CCn1cc(C(C)(C)C)cn1.COCCCn1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)cn1.COCn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is GCRPHLSDFOSKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.C12H20N2O.C12H20N2.C11H21N3.C11H20N2O.C11H18N2.C11H20N2.C10H18N2O.C10H18N2.C9H16N2O.C9H14N2O.C9H16N2O.C9H16N2.C9H15N.3C8H14N2.C8H12S.C7H12N2/c1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-12(2,3)10-8-13-14(9-10)11-6-4-5-7-11;1-11(2,3)10-8-12-14(9-10)7-6-13(4)5;1-11(2,3)10-8-12-13(9-10)6-5-7-14-4;1-11(2,3)9-7-12-13(8-9)10-5-4-6-10;1-5-6-7-13-9-10(8-12-13)11(2,3)4;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-9(2,3)8-5-10-11(6-8)7-12-4;1-7(12)11-6-8(5-10-11)9(2,3)4;1-9(2,3)8-6-10-11(7-8)4-5-12;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6/h10-11H,4-9H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7-8,10H,4-6H2,1-3H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;5-6H,7H2,1-4H3;5-6H,1-4H3;6-7,12H,4-5H2,1-3H3;6-7H,5H2,1-4H3;5-7H,1-4H3;3*5-6H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9).
What are the key properties of 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?
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 has a molecular weight of 3207.92 g/mol, XLogP of 41.00, 25 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158216282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).