1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole

C175H241BrCl7F5IN27O6S3 — CID 162280914

IUPAC1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
SMILESCC(C)c1[nH]ncc1Cl.CC(C)c1c(-c2ccno2)cnn1C.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(Cl)c(F)cc1NS(C)(=O)=O.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc(F)ccc1I.CC(C)c1cc2ncccn2n1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Br.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CCn1cc(C(C)C)cn1.CCn1nccc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1nn(C)c(C(C)C)c1Cl
InChIInChI=1S/C11H15N3.C10H13Cl2NO2S.C10H13ClFNO2S.C10H12F2O.C10H13N3O.C10H12N2S.C9H11Br.2C9H11Cl.C9H10FI.C9H11F.C9H11N3.C9H12.C8H13ClN2.3C8H14N2.C7H12N2.C6H9ClN2.C6H10N2/c1-7(2)10-6-12-14-9(4)5-8(3)13-11(10)14;1-6(2)8-4-7(11)5-9(12)10(8)13-16(3,14)15;1-6(2)7-4-8(11)9(12)5-10(7)13-16(3,14)15;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)10-8(6-11-13(10)3)9-4-5-12-14-9;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(9)6(3)10-11(8)4;1-6(2)8-5-9-10(4)7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-4-10-8(7(2)3)5-6-9-10;1-6(2)7-4-5-8-9(7)3;1-4(2)6-5(7)3-8-9-6;1-5(2)6-3-7-8-4-6/h5-7H,1-4H3;2*4-6,13H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;5H,1-4H3;5-6H,1-4H3;2*5-7H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3,(H,8,9);3-5H,1-2H3,(H,7,8)
InChIKeyCUDBDHWJJOGHGL-UHFFFAOYSA-N
MW3465.21 g/mol
LogP53.14
Rot. Bonds30

About 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole

1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole (PubChem CID 162280914) has the molecular formula C175H241BrCl7F5IN27O6S3 and a molecular weight of 3465.21 g/mol. Its IUPAC name is 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
PubChem CID162280914
Molecular FormulaC175H241BrCl7F5IN27O6S3
Molecular Weight3465.21 g/mol
Exact Mass3458.45
IUPAC Name1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
SMILESCC(C)c1[nH]ncc1Cl.CC(C)c1c(-c2ccno2)cnn1C.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(Cl)c(F)cc1NS(C)(=O)=O.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc(F)ccc1I.CC(C)c1cc2ncccn2n1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Br.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CCn1cc(C(C)C)cn1.CCn1nccc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1nn(C)c(C(C)C)c1Cl
InChIInChI=1S/C11H15N3.C10H13Cl2NO2S.C10H13ClFNO2S.C10H12F2O.C10H13N3O.C10H12N2S.C9H11Br.2C9H11Cl.C9H10FI.C9H11F.C9H11N3.C9H12.C8H13ClN2.3C8H14N2.C7H12N2.C6H9ClN2.C6H10N2/c1-7(2)10-6-12-14-9(4)5-8(3)13-11(10)14;1-6(2)8-4-7(11)5-9(12)10(8)13-16(3,14)15;1-6(2)7-4-8(11)9(12)5-10(7)13-16(3,14)15;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)10-8(6-11-13(10)3)9-4-5-12-14-9;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(9)6(3)10-11(8)4;1-6(2)8-5-9-10(4)7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-4-10-8(7(2)3)5-6-9-10;1-6(2)7-4-5-8-9(7)3;1-4(2)6-5(7)3-8-9-6;1-5(2)6-3-7-8-4-6/h5-7H,1-4H3;2*4-6,13H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;5H,1-4H3;5-6H,1-4H3;2*5-7H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3,(H,8,9);3-5H,1-2H3,(H,7,8)
InChIKeyCUDBDHWJJOGHGL-UHFFFAOYSA-N
XLogP53.14
TPSA380.94 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003465.21
LogP ≤ 553.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole with MolForge

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Related Compounds

CID 162280916
CID 162280916
1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;2,4-dichloro-1-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-pyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162280918
4-bromo-5-propan-2-yl-2H-triazole;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;2,4-dichloro-1-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;1-propan-2-yl-3-propan-2-yloxybenzene;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281889
4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-5-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrrole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-yl-1H-pyrrole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281996
4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;1-chloro-5-fluoro-2-methyl-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-ethyl-5-propan-2-ylpyrazole;4-ethyl-2-propan-2-ylpyridine;4-fluoro-1-iodo-2-propan-2-ylbenzene;methane;tris(1-methyl-2-propan-2-ylbenzene);5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 157746754
1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole
CID 162270115
1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162280915
1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;1-chloro-5-fluoro-2-methyl-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-5-propan-2-ylpyrazole;4-ethyl-2-propan-2-ylpyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole
CID 162280917

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole (CID 162280914) is 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole is CC(C)c1[nH]ncc1Cl.CC(C)c1c(-c2ccno2)cnn1C.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(Cl)c(F)cc1NS(C)(=O)=O.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc(F)ccc1I.CC(C)c1cc2ncccn2n1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Br.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CCn1cc(C(C)C)cn1.CCn1nccc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1nn(C)c(C(C)C)c1Cl.
What is the InChIKey of 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole?
The InChIKey is CUDBDHWJJOGHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C10H13Cl2NO2S.C10H13ClFNO2S.C10H12F2O.C10H13N3O.C10H12N2S.C9H11Br.2C9H11Cl.C9H10FI.C9H11F.C9H11N3.C9H12.C8H13ClN2.3C8H14N2.C7H12N2.C6H9ClN2.C6H10N2/c1-7(2)10-6-12-14-9(4)5-8(3)13-11(10)14;1-6(2)8-4-7(11)5-9(12)10(8)13-16(3,14)15;1-6(2)7-4-8(11)9(12)5-10(7)13-16(3,14)15;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)10-8(6-11-13(10)3)9-4-5-12-14-9;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(9)6(3)10-11(8)4;1-6(2)8-5-9-10(4)7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-4-10-8(7(2)3)5-6-9-10;1-6(2)7-4-5-8-9(7)3;1-4(2)6-5(7)3-8-9-6;1-5(2)6-3-7-8-4-6/h5-7H,1-4H3;2*4-6,13H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;5H,1-4H3;5-6H,1-4H3;2*5-7H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3,(H,8,9);3-5H,1-2H3,(H,7,8).
What are the key properties of 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole?
1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole has a molecular weight of 3465.21 g/mol, XLogP of 53.14, 30 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 162280914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).