1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane

C174H291F3N40O7S4Si — CID 160508938

IUPAC1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane
SMILESCC(C)Cn1cc(C(C)C)cn1.CC(C)OCCn1cc(C(C)C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(C2CCOCC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(CCN2CCN(C)CC2)c1.CC(C)c1cnn(CCS(C)(=O)=O)c1.CC(C)c1cnn(COCC[Si](C)(C)C)c1.CC(C)c1cnn(Cc2cccnc2)c1.CCn1cc(C(C)C)cn1.Cc1cc(C(C)C)n[nH]1.Cc1cn(C(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C13H24N4.C12H15N3.C12H24N2OSi.C11H18N2O.C11H20N2O.C10H16N2.C10H18N2.C9H16N2O2S.C9H14N2O.C9H16N2.C8H11F3N2.C8H14N2.3C7H12N2.C7H11NS.C6H10N2S.C6H10N2.C6H9NO.C6H9NS/c1-12(2)13-10-14-17(11-13)9-8-16-6-4-15(3)5-7-16;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-11(2)12-8-13-14(9-12)10-15-6-7-16(3,4)5;1-9(2)10-7-12-13(8-10)11-3-5-14-6-4-11;1-9(2)11-7-12-13(8-11)5-6-14-10(3)4;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)7-3-12-13(4-7)5-8(9,10)11;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-8-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-7-4-8-6/h10-12H,4-9H2,1-3H3;3-7,9-10H,8H2,1-2H3;8-9,11H,6-7,10H2,1-5H3;7-9,11H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;6-8,10H,3-5H2,1-2H3;5,7-9H,6H2,1-4H3;6-8H,4-5H2,1-3H3;3-4,7,9H,5-6H2,1-2H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3;5-7H,4H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyQSUDGFBGBUBTPA-UHFFFAOYSA-N
MW3268.86 g/mol
LogP42.32
Rot. Bonds45

About 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane

1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane (PubChem CID 160508938) has the molecular formula C174H291F3N40O7S4Si and a molecular weight of 3268.86 g/mol. Its IUPAC name is 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Name1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane
PubChem CID160508938
Molecular FormulaC174H291F3N40O7S4Si
Molecular Weight3268.86 g/mol
Exact Mass3266.22
IUPAC Name1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane
SMILESCC(C)Cn1cc(C(C)C)cn1.CC(C)OCCn1cc(C(C)C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(C2CCOCC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(CCN2CCN(C)CC2)c1.CC(C)c1cnn(CCS(C)(=O)=O)c1.CC(C)c1cnn(COCC[Si](C)(C)C)c1.CC(C)c1cnn(Cc2cccnc2)c1.CCn1cc(C(C)C)cn1.Cc1cc(C(C)C)n[nH]1.Cc1cn(C(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C13H24N4.C12H15N3.C12H24N2OSi.C11H18N2O.C11H20N2O.C10H16N2.C10H18N2.C9H16N2O2S.C9H14N2O.C9H16N2.C8H11F3N2.C8H14N2.3C7H12N2.C7H11NS.C6H10N2S.C6H10N2.C6H9NO.C6H9NS/c1-12(2)13-10-14-17(11-13)9-8-16-6-4-15(3)5-7-16;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-11(2)12-8-13-14(9-12)10-15-6-7-16(3,4)5;1-9(2)10-7-12-13(8-10)11-3-5-14-6-4-11;1-9(2)11-7-12-13(8-11)5-6-14-10(3)4;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)7-3-12-13(4-7)5-8(9,10)11;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-8-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-7-4-8-6/h10-12H,4-9H2,1-3H3;3-7,9-10H,8H2,1-2H3;8-9,11H,6-7,10H2,1-5H3;7-9,11H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;6-8,10H,3-5H2,1-2H3;5,7-9H,6H2,1-4H3;6-8H,4-5H2,1-3H3;3-4,7,9H,5-6H2,1-2H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3;5-7H,4H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyQSUDGFBGBUBTPA-UHFFFAOYSA-N
XLogP42.32
TPSA474.86 Ų
H-Bond Donors2
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003268.86
LogP ≤ 542.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane with MolForge

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Related Compounds

1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane
CID 161197211
2-methylpropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 157854875
cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158710689
2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 158971516

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane?
The IUPAC name of 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane (CID 160508938) is 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane.
What is the SMILES notation for 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane?
The canonical SMILES for 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane is CC(C)Cn1cc(C(C)C)cn1.CC(C)OCCn1cc(C(C)C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCC2)c1.CC(C)c1cnn(C2CCOCC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnn(CC(F)(F)F)c1.CC(C)c1cnn(CCN2CCN(C)CC2)c1.CC(C)c1cnn(CCS(C)(=O)=O)c1.CC(C)c1cnn(COCC[Si](C)(C)C)c1.CC(C)c1cnn(Cc2cccnc2)c1.CCn1cc(C(C)C)cn1.Cc1cc(C(C)C)n[nH]1.Cc1cn(C(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)s1.
What is the InChIKey of 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane?
The InChIKey is QSUDGFBGBUBTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4.C12H15N3.C12H24N2OSi.C11H18N2O.C11H20N2O.C10H16N2.C10H18N2.C9H16N2O2S.C9H14N2O.C9H16N2.C8H11F3N2.C8H14N2.3C7H12N2.C7H11NS.C6H10N2S.C6H10N2.C6H9NO.C6H9NS/c1-12(2)13-10-14-17(11-13)9-8-16-6-4-15(3)5-7-16;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-11(2)12-8-13-14(9-12)10-15-6-7-16(3,4)5;1-9(2)10-7-12-13(8-10)11-3-5-14-6-4-11;1-9(2)11-7-12-13(8-11)5-6-14-10(3)4;1-8(2)9-6-11-12(7-9)10-4-3-5-10;1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)7-3-12-13(4-7)5-8(9,10)11;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-8-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-7-4-8-6/h10-12H,4-9H2,1-3H3;3-7,9-10H,8H2,1-2H3;8-9,11H,6-7,10H2,1-5H3;7-9,11H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;6-8,10H,3-5H2,1-2H3;5,7-9H,6H2,1-4H3;6-8H,4-5H2,1-3H3;3-4,7,9H,5-6H2,1-2H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3;5-7H,4H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.
What are the key properties of 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane?
1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane has a molecular weight of 3268.86 g/mol, XLogP of 42.32, 45 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 160508938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).