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

C206H322ClF5N34O8S3 — CID 162278397

IUPAC1-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
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1nonc1CCCO.CCCc1cc(C(C)C)n(Cl)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.COc1ccc(C)c(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H17N.C11H15N3.C11H18N2.C11H13NO.C11H16O.C11H16S.C10H18N2.C9H15ClN2.C9H14F2N2.C9H15FN2.2C9H15N3O.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.C8H14N2O2.C8H13NO.C7H11NO.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;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;1-8(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;1-4-5-8-6-9(7(2)3)12(10)11-8;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;1-6(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;1-5-11-8(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)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;1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;5-7H,1-4H3;7-9,11H,3-6H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;7-8H,3-6H2,1-2H3;6-8H,1-5H3;6-7H,4-5H2,1-3H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyOYSUSJIOXPHXNG-UHFFFAOYSA-N
MW3629.72 g/mol
LogP57.25
Rot. Bonds43

About 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

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 (PubChem CID 162278397) has the molecular formula C206H322ClF5N34O8S3 and a molecular weight of 3629.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID162278397
Molecular FormulaC206H322ClF5N34O8S3
Molecular Weight3629.72 g/mol
Exact Mass3626.46
IUPAC Name1-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
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1nonc1CCCO.CCCc1cc(C(C)C)n(Cl)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.COc1ccc(C)c(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H17N.C11H15N3.C11H18N2.C11H13NO.C11H16O.C11H16S.C10H18N2.C9H15ClN2.C9H14F2N2.C9H15FN2.2C9H15N3O.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.C8H14N2O2.C8H13NO.C7H11NO.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;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;1-8(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;1-4-5-8-6-9(7(2)3)12(10)11-8;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;1-6(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;1-5-11-8(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)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;1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;5-7H,1-4H3;7-9,11H,3-6H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;7-8H,3-6H2,1-2H3;6-8H,1-5H3;6-7H,4-5H2,1-3H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyOYSUSJIOXPHXNG-UHFFFAOYSA-N
XLogP57.25
TPSA462.98 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds43
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003629.72
LogP ≤ 557.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

CID 159320113
CID 159320113
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
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
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-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;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-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;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-ylthiophene
CID 162278396
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
3-(2,6-dimethylanilino)-N-(2-methylpropyl)-2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]imidazo[1,2-a]pyridine-8-carboxamide;[(E)-furan-2-ylmethylideneamino]thiourea;2-[(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid;5-(1H-indol-5-ylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one;(4-methoxy-2,6-dimethylpyridin-1-ium-1-yl) N,N-dimethylcarbamate;1-methyl-3-nitro-5-(4-nitropyrazol-1-yl)-1,2,4-triazole
CID 172920369
2-[7-(furan-2-yl)-1-(1H-indol-2-yl)-3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-ylisoindol-2-yl]-1,3-oxazole
CID 141049907
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 159512223
6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione
CID 159850476

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1nonc1CCCO.CCCc1cc(C(C)C)n(Cl)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.COc1ccc(C)c(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C.Cc1noc(C(C)C)c1C.
What is the InChIKey of 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?
The InChIKey is OYSUSJIOXPHXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C11H15N3.C11H18N2.C11H13NO.C11H16O.C11H16S.C10H18N2.C9H15ClN2.C9H14F2N2.C9H15FN2.2C9H15N3O.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.C8H14N2O2.C8H13NO.C7H11NO.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;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;1-8(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;1-4-5-8-6-9(7(2)3)12(10)11-8;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;1-6(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;1-5-11-8(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)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;1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;5-7H,1-4H3;7-9,11H,3-6H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;7-8H,3-6H2,1-2H3;6-8H,1-5H3;6-7H,4-5H2,1-3H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;4-5H,1-3H3;3-6H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3629.72 g/mol, XLogP of 57.25, 43 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162278397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).