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

C184H255BrCl7F5N20O4S — CID 162280917

IUPAC1-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
SMILESCC(C)c1[nH]ccc1Cl.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc2ncccn2n1.CC(C)c1cc[nH]c1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Br.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CCc1ccnc(C(C)C)c1.CCn1nccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(Cl)cc(F)cc1C(C)C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1nn(C)c(C(C)C)c1-c1ccno1.Cc1nn(C)c(C(C)C)c1Cl
InChIInChI=1S/C11H15N3O.C11H15N3.C10H13Cl2NO2S.2C10H12ClF.C10H12F2O.C10H13F.C10H15N.2C10H14.C9H11Br.C9H11Cl.C9H11N3.C9H15N.C9H12.C8H13ClN2.C8H14N2.C7H10ClN.C7H12N2.C7H11N/c1-7(2)11-10(8(3)13-14(11)4)9-5-6-12-15-9;1-7(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)9-4-8(12)5-10(11)7(9)3;1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)10-6-9(11)5-4-8(10)3;1-4-9-5-6-11-10(7-9)8(2)3;2*1-8(2)10-7-5-4-6-9(10)3;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)8-6-9-10-4-3-5-12(9)11-8;1-7(2)9-5-6-10(4)8(9)3;1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(9)6(3)10-11(8)4;1-4-10-8(7(2)3)5-6-9-10;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-7H,1-4H3;5-7H,1-4H3;4-6,13H,1-3H3;2*4-6H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;3-8H,1-2H3;5H,1-4H3;5-7H,4H2,1-3H3;3-5,9H,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3
InChIKeyXGZUVKMFRICSRP-UHFFFAOYSA-N
MW3266.33 g/mol
LogP57.12
Rot. Bonds27

About 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

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 (PubChem CID 162280917) has the molecular formula C184H255BrCl7F5N20O4S and a molecular weight of 3266.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID162280917
Molecular FormulaC184H255BrCl7F5N20O4S
Molecular Weight3266.33 g/mol
Exact Mass3259.70
IUPAC Name1-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
SMILESCC(C)c1[nH]ccc1Cl.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc2ncccn2n1.CC(C)c1cc[nH]c1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Br.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CCc1ccnc(C(C)C)c1.CCn1nccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(Cl)cc(F)cc1C(C)C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1nn(C)c(C(C)C)c1-c1ccno1.Cc1nn(C)c(C(C)C)c1Cl
InChIInChI=1S/C11H15N3O.C11H15N3.C10H13Cl2NO2S.2C10H12ClF.C10H12F2O.C10H13F.C10H15N.2C10H14.C9H11Br.C9H11Cl.C9H11N3.C9H15N.C9H12.C8H13ClN2.C8H14N2.C7H10ClN.C7H12N2.C7H11N/c1-7(2)11-10(8(3)13-14(11)4)9-5-6-12-15-9;1-7(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)9-4-8(12)5-10(11)7(9)3;1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)10-6-9(11)5-4-8(10)3;1-4-9-5-6-11-10(7-9)8(2)3;2*1-8(2)10-7-5-4-6-9(10)3;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)8-6-9-10-4-3-5-12(9)11-8;1-7(2)9-5-6-10(4)8(9)3;1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(9)6(3)10-11(8)4;1-4-10-8(7(2)3)5-6-9-10;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-7H,1-4H3;5-7H,1-4H3;4-6,13H,1-3H3;2*4-6H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;3-8H,1-2H3;5H,1-4H3;5-7H,4H2,1-3H3;3-5,9H,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3
InChIKeyXGZUVKMFRICSRP-UHFFFAOYSA-N
XLogP57.12
TPSA262.49 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003266.33
LogP ≤ 557.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Launch Full Analysis

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-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;1,5-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1[nH]ccc1Cl.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc2ncccn2n1.CC(C)c1cc[nH]c1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Br.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CCc1ccnc(C(C)C)c1.CCn1nccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(Cl)cc(F)cc1C(C)C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1nn(C)c(C(C)C)c1-c1ccno1.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;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?
The InChIKey is XGZUVKMFRICSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C11H15N3.C10H13Cl2NO2S.2C10H12ClF.C10H12F2O.C10H13F.C10H15N.2C10H14.C9H11Br.C9H11Cl.C9H11N3.C9H15N.C9H12.C8H13ClN2.C8H14N2.C7H10ClN.C7H12N2.C7H11N/c1-7(2)11-10(8(3)13-14(11)4)9-5-6-12-15-9;1-7(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)9-4-8(12)5-10(11)7(9)3;1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)10-6-9(11)5-4-8(10)3;1-4-9-5-6-11-10(7-9)8(2)3;2*1-8(2)10-7-5-4-6-9(10)3;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)8-6-9-10-4-3-5-12(9)11-8;1-7(2)9-5-6-10(4)8(9)3;1-8(2)9-6-4-3-5-7-9;1-5(2)8-7(9)6(3)10-11(8)4;1-4-10-8(7(2)3)5-6-9-10;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-7H,1-4H3;5-7H,1-4H3;4-6,13H,1-3H3;2*4-6H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;3-8H,1-2H3;5H,1-4H3;5-7H,4H2,1-3H3;3-5,9H,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3266.33 g/mol, XLogP of 57.12, 27 rotatable bonds, 3 hydrogen bond donors, and 21 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;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 is sourced from PubChem (CID 162280917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).