3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C208H312ClF5N14O12S — CID 159207203

IUPAC3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)n1ccc(C2CC2)n1.CC(C)(C)n1ccc(OCC2CC2)n1.CC(C)(C)n1ccc(OCC2CCC2)n1.CC(C)C1CC1.CC(C)C1CCCCC1.CC(C)Oc1ccccc1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CCOc1ccc(C(C)C)cc1.CCOc1ccccc1C(C)C.CC[C@@H](C)Oc1ccn(C(C)(C)C)n1.CC[C@H](C)Oc1ccn(C(C)(C)C)n1.COc1c(C)cccc1C(C)C.COc1c(F)cc(Cl)cc1C(C)C.COc1cc(F)ccc1C(C)C.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1nc(-c2ccc(C(C)C)s2)no1
InChIInChI=1S/C12H20N2O.C12H15N.C12H18O.C11H18N2O.2C11H20N2O.C11H17N.3C11H16O.C10H12ClFO.C10H11F3.C10H13FO.C10H12N2OS.C10H16N2.C10H14O.2C10H14.C9H18.C6H12/c1-12(2,3)14-8-7-11(13-14)15-9-10-5-4-6-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-11(2,3)13-7-6-10(12-13)14-8-9-4-5-9;2*1-6-9(2)14-10-7-8-13(12-10)11(3,4)5;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-6(2)8-4-7(11)5-9(12)10(8)13-3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-4-8(11)6-10(9)12-3;1-6(2)8-4-5-9(14-8)10-11-7(3)13-12-10;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-6/h7-8,10H,4-6,9H2,1-3H3;4-9H,1-3H3;5-10H,1-4H3;6-7,9H,4-5,8H2,1-3H3;2*7-9H,6H2,1-5H3;5-9H,1-4H3;5-8H,1-4H3;2*5-9H,4H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;8-9H,3-7H2,1-2H3;5-6H,3-4H2,1-2H3/t;;;;2*9-;;;;;;;;;;;;;;/m....10............../s1
InChIKeyKQAMIEBQZWJVNI-MIWPERJFSA-N
MW3363.38 g/mol
LogP60.67
Rot. Bonds40

About 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene

3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 159207203) has the molecular formula C208H312ClF5N14O12S and a molecular weight of 3363.38 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID159207203
Molecular FormulaC208H312ClF5N14O12S
Molecular Weight3363.38 g/mol
Exact Mass3360.36
IUPAC Name3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)n1ccc(C2CC2)n1.CC(C)(C)n1ccc(OCC2CC2)n1.CC(C)(C)n1ccc(OCC2CCC2)n1.CC(C)C1CC1.CC(C)C1CCCCC1.CC(C)Oc1ccccc1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CCOc1ccc(C(C)C)cc1.CCOc1ccccc1C(C)C.CC[C@@H](C)Oc1ccn(C(C)(C)C)n1.CC[C@H](C)Oc1ccn(C(C)(C)C)n1.COc1c(C)cccc1C(C)C.COc1c(F)cc(Cl)cc1C(C)C.COc1cc(F)ccc1C(C)C.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1nc(-c2ccc(C(C)C)s2)no1
InChIInChI=1S/C12H20N2O.C12H15N.C12H18O.C11H18N2O.2C11H20N2O.C11H17N.3C11H16O.C10H12ClFO.C10H11F3.C10H13FO.C10H12N2OS.C10H16N2.C10H14O.2C10H14.C9H18.C6H12/c1-12(2,3)14-8-7-11(13-14)15-9-10-5-4-6-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-11(2,3)13-7-6-10(12-13)14-8-9-4-5-9;2*1-6-9(2)14-10-7-8-13(12-10)11(3,4)5;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-6(2)8-4-7(11)5-9(12)10(8)13-3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-4-8(11)6-10(9)12-3;1-6(2)8-4-5-9(14-8)10-11-7(3)13-12-10;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-6/h7-8,10H,4-6,9H2,1-3H3;4-9H,1-3H3;5-10H,1-4H3;6-7,9H,4-5,8H2,1-3H3;2*7-9H,6H2,1-5H3;5-9H,1-4H3;5-8H,1-4H3;2*5-9H,4H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;8-9H,3-7H2,1-2H3;5-6H,3-4H2,1-2H3/t;;;;2*9-;;;;;;;;;;;;;;/m....10............../s1
InChIKeyKQAMIEBQZWJVNI-MIWPERJFSA-N
XLogP60.67
TPSA237.72 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds40
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003363.38
LogP ≤ 560.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157063015
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157102177
N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 157102704
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157241609
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157595421
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 157998875
3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158169693
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 158440027
3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-2-methoxy-5-methyl-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 158636152
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-2-methoxy-1-methyl-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158767781
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158768384
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrrolo[3,2-b]pyridin-4-ium;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158842082

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 159207203) is 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)(C)n1ccc(C2CC2)n1.CC(C)(C)n1ccc(OCC2CC2)n1.CC(C)(C)n1ccc(OCC2CCC2)n1.CC(C)C1CC1.CC(C)C1CCCCC1.CC(C)Oc1ccccc1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CCOc1ccc(C(C)C)cc1.CCOc1ccccc1C(C)C.CC[C@@H](C)Oc1ccn(C(C)(C)C)n1.CC[C@H](C)Oc1ccn(C(C)(C)C)n1.COc1c(C)cccc1C(C)C.COc1c(F)cc(Cl)cc1C(C)C.COc1cc(F)ccc1C(C)C.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1nc(-c2ccc(C(C)C)s2)no1.
What is the InChIKey of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is KQAMIEBQZWJVNI-MIWPERJFSA-N. The full InChI is InChI=1S/C12H20N2O.C12H15N.C12H18O.C11H18N2O.2C11H20N2O.C11H17N.3C11H16O.C10H12ClFO.C10H11F3.C10H13FO.C10H12N2OS.C10H16N2.C10H14O.2C10H14.C9H18.C6H12/c1-12(2,3)14-8-7-11(13-14)15-9-10-5-4-6-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-11(2,3)13-7-6-10(12-13)14-8-9-4-5-9;2*1-6-9(2)14-10-7-8-13(12-10)11(3,4)5;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-6(2)8-4-7(11)5-9(12)10(8)13-3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-4-8(11)6-10(9)12-3;1-6(2)8-4-5-9(14-8)10-11-7(3)13-12-10;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-6/h7-8,10H,4-6,9H2,1-3H3;4-9H,1-3H3;5-10H,1-4H3;6-7,9H,4-5,8H2,1-3H3;2*7-9H,6H2,1-5H3;5-9H,1-4H3;5-8H,1-4H3;2*5-9H,4H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;8-9H,3-7H2,1-2H3;5-6H,3-4H2,1-2H3/t;;;;2*9-;;;;;;;;;;;;;;/m....10............../s1.
What are the key properties of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3363.38 g/mol, XLogP of 60.67, 40 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-3-(5-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazole;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159207203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).