1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene

C194H286F3N27O10S3 — CID 162278393

IUPAC1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1csc2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nonc1CCCO.CCOc1cccc(C(C)C)c1.CNC(=O)c1cc(C(C)C)nn1C.COc1cccc(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1O.Cc1nnc2c(C(C)C)cccn12.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H17N.C12H14FN.C11H13N3.C11H18N2.C11H14O2.C11H16O.C11H16S.C10H13N3.C10H16N2.C10H18N2.2C10H14O.2C9H15N3O.C8H12F2N2.C8H14N2O2.C8H13NO.C8H12S.C7H12N2.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)9-5-4-6-13-8(3)11-12-10(9)13;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-6(2)7-3-4-12(11-7)5-8(9)10;1-6(2)8-7(4-3-5-11)9-12-10-8;1-5(2)8-6(3)7(4)9-10-8;1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;4-7,14H,1-3H3;3-8H,1-2H3,(H,13,14);7-9,11H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;4-8H,1-3H3;4-7,11H,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3
InChIKeyXYJUOUNRZUHSQO-UHFFFAOYSA-N
MW3309.80 g/mol
LogP51.89
Rot. Bonds33

About 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene

1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene (PubChem CID 162278393) has the molecular formula C194H286F3N27O10S3 and a molecular weight of 3309.80 g/mol. Its IUPAC name is 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene.

Molecular Properties

Compound Name1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
PubChem CID162278393
Molecular FormulaC194H286F3N27O10S3
Molecular Weight3309.80 g/mol
Exact Mass3307.18
IUPAC Name1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1csc2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nonc1CCCO.CCOc1cccc(C(C)C)c1.CNC(=O)c1cc(C(C)C)nn1C.COc1cccc(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1O.Cc1nnc2c(C(C)C)cccn12.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H17N.C12H14FN.C11H13N3.C11H18N2.C11H14O2.C11H16O.C11H16S.C10H13N3.C10H16N2.C10H18N2.2C10H14O.2C9H15N3O.C8H12F2N2.C8H14N2O2.C8H13NO.C8H12S.C7H12N2.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)9-5-4-6-13-8(3)11-12-10(9)13;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-6(2)7-3-4-12(11-7)5-8(9)10;1-6(2)8-7(4-3-5-11)9-12-10-8;1-5(2)8-6(3)7(4)9-10-8;1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;4-7,14H,1-3H3;3-8H,1-2H3,(H,13,14);7-9,11H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;4-8H,1-3H3;4-7,11H,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3
InChIKeyXYJUOUNRZUHSQO-UHFFFAOYSA-N
XLogP51.89
TPSA450.33 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds33
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003309.80
LogP ≤ 551.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene with MolForge

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Related Compounds

CID 159320113
CID 159320113
CID 162278388
CID 162278388
4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-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;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;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-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 162278389
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
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
CID 162268816
CID 162268816
3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;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-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
CID 162269336
3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
CID 162278392
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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
CID 162278394
3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1,2-dimethyl-3-propan-2-ylbenzene;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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-3-propan-2-ylindazole;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
CID 162278395
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 162287473
3-amino-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide;1-(2-amino-6-methylpyrimidin-4-yl)-4-(1,3-benzodioxol-5-yl)piperidin-4-ol;1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide;2-[5-amino-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone;4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 172917404

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene?
The IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene (CID 162278393) is 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene.
What is the SMILES notation for 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene?
The canonical SMILES for 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene is CC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1csc2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nonc1CCCO.CCOc1cccc(C(C)C)c1.CNC(=O)c1cc(C(C)C)nn1C.COc1cccc(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1O.Cc1nnc2c(C(C)C)cccn12.Cc1noc(C(C)C)c1C.
What is the InChIKey of 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene?
The InChIKey is XYJUOUNRZUHSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C12H14FN.C11H13N3.C11H18N2.C11H14O2.C11H16O.C11H16S.C10H13N3.C10H16N2.C10H18N2.2C10H14O.2C9H15N3O.C8H12F2N2.C8H14N2O2.C8H13NO.C8H12S.C7H12N2.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)9-5-4-6-13-8(3)11-12-10(9)13;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-6(2)7-3-4-12(11-7)5-8(9)10;1-6(2)8-7(4-3-5-11)9-12-10-8;1-5(2)8-6(3)7(4)9-10-8;1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;4-7,14H,1-3H3;3-8H,1-2H3,(H,13,14);7-9,11H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;4-8H,1-3H3;4-7,11H,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3.
What are the key properties of 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene?
1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene has a molecular weight of 3309.80 g/mol, XLogP of 51.89, 33 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene is sourced from PubChem (CID 162278393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).