1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole

C219H355F3N30O7S3 — CID 162269071

IUPAC1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.CC(C)c1[nH]cc2c1CCC2.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1cccnc1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1cncs1.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(C)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)nn1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/C11H15N3.C11H18N2.C11H13NO.2C11H16O.C11H16S.2C10H18N2.C10H15N.C10H14O2.C9H14F2N2.C9H15FN2.3C9H16N2.C9H13N.C9H14S.C8H12N2.C8H13NO.C8H11N.C7H12N2.C7H11NO.C6H9NS.6CH4/c1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)9-6-10(12-7-9)11-4-3-5-13-11;1-8(2)11-7-10(12-4)6-5-9(11)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-9(5)6-11-12(10)8(3)4;1-5-6-12-7-9(4)10(11-12)8(2)3;1-7(2)10-9-5-3-4-8(9)6-11-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)8-4-5-12-13(8)6-9(3,10)11;1-6(2)9-5-7(3)11-12(9)8(4)10;1-5-11-8(4)6-9(10-11)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-6(2)8-5-4-7(3)9-10-8;1-4-7-8(6(2)3)9-5-10-7;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-4-8-6;;;;;;/h5-7H,1-4H3;8H,4-7H2,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-7,11H,3-5H2,1-2H3;4-7,11H,1-3H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3;6*1H4
InChIKeyBXPAYCHHSLFQEV-UHFFFAOYSA-N
MW3673.65 g/mol
LogP64.08
Rot. Bonds40

About 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole

1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole (PubChem CID 162269071) has the molecular formula C219H355F3N30O7S3 and a molecular weight of 3673.65 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole
PubChem CID162269071
Molecular FormulaC219H355F3N30O7S3
Molecular Weight3673.65 g/mol
Exact Mass3670.75
IUPAC Name1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.CC(C)c1[nH]cc2c1CCC2.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1cccnc1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1cncs1.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(C)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)nn1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/C11H15N3.C11H18N2.C11H13NO.2C11H16O.C11H16S.2C10H18N2.C10H15N.C10H14O2.C9H14F2N2.C9H15FN2.3C9H16N2.C9H13N.C9H14S.C8H12N2.C8H13NO.C8H11N.C7H12N2.C7H11NO.C6H9NS.6CH4/c1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)9-6-10(12-7-9)11-4-3-5-13-11;1-8(2)11-7-10(12-4)6-5-9(11)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-9(5)6-11-12(10)8(3)4;1-5-6-12-7-9(4)10(11-12)8(2)3;1-7(2)10-9-5-3-4-8(9)6-11-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)8-4-5-12-13(8)6-9(3,10)11;1-6(2)9-5-7(3)11-12(9)8(4)10;1-5-11-8(4)6-9(10-11)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-6(2)8-5-4-7(3)9-10-8;1-4-7-8(6(2)3)9-5-10-7;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-4-8-6;;;;;;/h5-7H,1-4H3;8H,4-7H2,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-7,11H,3-5H2,1-2H3;4-7,11H,1-3H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3;6*1H4
InChIKeyBXPAYCHHSLFQEV-UHFFFAOYSA-N
XLogP64.08
TPSA411.10 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds40
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003673.65
LogP ≤ 564.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Analyze 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

CID 161632445
CID 161632445
CID 162268877
CID 162268877
3-butyl-4-propan-2-yl-2H-1,2,3,5-oxatriazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;4-methoxy-1-methyl-2-propan-2-ylbenzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-3-propan-2-yl-1-propylpyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 162278390
1-chloro-5-propan-2-yl-3-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;4-methoxy-1-methyl-2-propan-2-ylbenzene;4-methyl-1,5-di(propan-2-yl)pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-methyl-4-propan-2-ylpyridine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-ylthiophene
CID 162278397
CID 162282001
CID 162282001
4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 162282002
CID 162282013
CID 162282013
1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole
CID 162282014
1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole
CID 162282015
1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole
CID 157062903
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;undecakis(2,2-dimethylpropane);1-(2,2-dimethylpropyl)indazole;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole
CID 157369125
6-tert-butyl-5-propan-2-ylfuro[3,2-b]pyridine;5,6-ditert-butyl-2,3-dihydro-1H-imidazo[4,5-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butyl-1H-imidazo[4,5-b]pyridine;5,6-ditert-butyl-[1,2]oxazolo[5,4-b]pyridine;5,6-ditert-butyl-[1,3]oxazolo[4,5-b]pyridine;5,6-ditert-butyl-[1,3]oxazolo[5,4-b]pyridine;5,6-ditert-butyl-1H-pyrazolo[3,4-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[2,3-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-[1,3]thiazolo[4,5-b]pyridine;5,6-ditert-butyl-[1,3]thiazolo[5,4-b]pyridine;5,6-ditert-butyl-2H-triazolo[4,5-b]pyridine
CID 158234700

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole (CID 162269071) is 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole is C.C.C.C.C.C.CC(C)c1[nH]cc2c1CCC2.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1cccnc1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1cncs1.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(C)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)nn1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C.
What is the InChIKey of 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole?
The InChIKey is BXPAYCHHSLFQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C11H18N2.C11H13NO.2C11H16O.C11H16S.2C10H18N2.C10H15N.C10H14O2.C9H14F2N2.C9H15FN2.3C9H16N2.C9H13N.C9H14S.C8H12N2.C8H13NO.C8H11N.C7H12N2.C7H11NO.C6H9NS.6CH4/c1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)9-6-10(12-7-9)11-4-3-5-13-11;1-8(2)11-7-10(12-4)6-5-9(11)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-9(5)6-11-12(10)8(3)4;1-5-6-12-7-9(4)10(11-12)8(2)3;1-7(2)10-9-5-3-4-8(9)6-11-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-7(2)8-4-5-12-13(8)6-9(3,10)11;1-6(2)9-5-7(3)11-12(9)8(4)10;1-5-11-8(4)6-9(10-11)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-6(2)8-5-4-7(3)9-10-8;1-4-7-8(6(2)3)9-5-10-7;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-4-8-6;;;;;;/h5-7H,1-4H3;8H,4-7H2,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-7,11H,3-5H2,1-2H3;4-7,11H,1-3H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3;6*1H4.
What are the key properties of 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole?
1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole has a molecular weight of 3673.65 g/mol, XLogP of 64.08, 40 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 162269071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).