1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole

C261H418Cl2F6N48O6 — CID 160603322

IUPAC1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole
SMILESCC(C)(C)Cc1ccn(C(F)F)n1.CC(C)(C)Cc1ccn(C2CCCC2)n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cnccn1.CC(C)(C)Cc1ncc(Cl)cn1.CC(C)(C)Cc1ncccc1F.CC(C)(C)Cc1nccn1Cc1ccccc1.CC(C)(C)Cn1cc(Cl)cn1.CC(C)(C)Cn1ccc(C(F)(F)F)n1.CCn1cc(CC(C)(C)C)cn1.CN(C)c1ccnc(CC(C)(C)C)n1.COc1cc(OC)nc(CC(C)(C)C)n1.COc1cccnc1CC(C)(C)C.COc1ccnc(CC(C)(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cccc(CC(C)(C)C)n1.Cc1cccnc1CC(C)(C)C.Cc1ccnc(CC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)o1.Cc1cncc(CC(C)(C)C)n1.Cc1cnn(CC(C)(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1cc(CC(C)(C)C)cn1.Cn1ccc(CC(C)(C)C)n1.Cn1ccnc1CC(C)(C)C.Cn1cnc(CC(C)(C)C)c1
InChIInChI=1S/C15H20N2.C13H22N2.C12H16N2.C11H19N3.C11H18N2O2.C11H17NO.2C11H17N.C10H14FN.C10H16N2O.3C10H16N2.C10H18N2.C9H13ClN2.C9H13F3N2.C9H14F2N2.5C9H16N2.C9H14N2.C9H15NO.C8H13ClN2.C8H14N2O/c1-15(2,3)11-14-16-9-10-17(14)12-13-7-5-4-6-8-13;1-13(2,3)10-11-8-9-15(14-11)12-6-4-5-7-12;1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-11(2,3)8-9-12-7-6-10(13-9)14(4)5;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-11(2,3)8-9-10(13-4)6-5-7-12-9;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9-6-5-7-10(12-9)8-11(2,3)4;1-10(2,3)7-9-8(11)5-4-6-12-9;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-7-9(12-8)5-10(2,3)4;1-8-5-6-11-9(12-8)7-10(2,3)4;1-8(10(2,3)4)9-11-6-5-7-12-9;1-5-12-8-9(7-11-12)6-10(2,3)4;1-9(2,3)4-8-11-5-7(10)6-12-8;1-8(2,3)6-14-5-4-7(13-14)9(10,11)12;1-9(2,3)6-7-4-5-13(12-7)8(10)11;1-9(2,3)5-8-6-11(4)7-10-8;1-9(2,3)5-8-6-10-11(4)7-8;1-8-5-10-11(6-8)7-9(2,3)4;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)6-8-7-10-4-5-11-8;1-7-6-10-8(11-7)5-9(2,3)4;1-8(2,3)6-11-5-7(9)4-10-11;1-6-9-10-7(11-6)5-8(2,3)4/h4-10H,11-12H2,1-3H3;8-9,12H,4-7,10H2,1-3H3;4-7,9H,8H2,1-3H3;6-7H,8H2,1-5H3;6H,7H2,1-5H3;5-7H,8H2,1-4H3;2*5-7H,8H2,1-4H3;4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-5,8H,6H2,1-3H3;2*6-7H,5H2,1-4H3;3*5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3;6H,5H2,1-4H3;4-5H,6H2,1-3H3;5H2,1-4H3/t;;;;;;;;;;;;8-;;;;;;;;;;;;;/m............1............./s1
InChIKeyREODITXIBCCFCA-VSCIPXIWSA-N
MW4509.44 g/mol
LogP65.62
Rot. Bonds36

About 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole

1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole (PubChem CID 160603322) has the molecular formula C261H418Cl2F6N48O6 and a molecular weight of 4509.44 g/mol. Its IUPAC name is 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole
PubChem CID160603322
Molecular FormulaC261H418Cl2F6N48O6
Molecular Weight4509.44 g/mol
Exact Mass4505.32
IUPAC Name1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole
SMILESCC(C)(C)Cc1ccn(C(F)F)n1.CC(C)(C)Cc1ccn(C2CCCC2)n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cnccn1.CC(C)(C)Cc1ncc(Cl)cn1.CC(C)(C)Cc1ncccc1F.CC(C)(C)Cc1nccn1Cc1ccccc1.CC(C)(C)Cn1cc(Cl)cn1.CC(C)(C)Cn1ccc(C(F)(F)F)n1.CCn1cc(CC(C)(C)C)cn1.CN(C)c1ccnc(CC(C)(C)C)n1.COc1cc(OC)nc(CC(C)(C)C)n1.COc1cccnc1CC(C)(C)C.COc1ccnc(CC(C)(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cccc(CC(C)(C)C)n1.Cc1cccnc1CC(C)(C)C.Cc1ccnc(CC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)o1.Cc1cncc(CC(C)(C)C)n1.Cc1cnn(CC(C)(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1cc(CC(C)(C)C)cn1.Cn1ccc(CC(C)(C)C)n1.Cn1ccnc1CC(C)(C)C.Cn1cnc(CC(C)(C)C)c1
InChIInChI=1S/C15H20N2.C13H22N2.C12H16N2.C11H19N3.C11H18N2O2.C11H17NO.2C11H17N.C10H14FN.C10H16N2O.3C10H16N2.C10H18N2.C9H13ClN2.C9H13F3N2.C9H14F2N2.5C9H16N2.C9H14N2.C9H15NO.C8H13ClN2.C8H14N2O/c1-15(2,3)11-14-16-9-10-17(14)12-13-7-5-4-6-8-13;1-13(2,3)10-11-8-9-15(14-11)12-6-4-5-7-12;1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-11(2,3)8-9-12-7-6-10(13-9)14(4)5;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-11(2,3)8-9-10(13-4)6-5-7-12-9;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9-6-5-7-10(12-9)8-11(2,3)4;1-10(2,3)7-9-8(11)5-4-6-12-9;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-7-9(12-8)5-10(2,3)4;1-8-5-6-11-9(12-8)7-10(2,3)4;1-8(10(2,3)4)9-11-6-5-7-12-9;1-5-12-8-9(7-11-12)6-10(2,3)4;1-9(2,3)4-8-11-5-7(10)6-12-8;1-8(2,3)6-14-5-4-7(13-14)9(10,11)12;1-9(2,3)6-7-4-5-13(12-7)8(10)11;1-9(2,3)5-8-6-11(4)7-10-8;1-9(2,3)5-8-6-10-11(4)7-8;1-8-5-10-11(6-8)7-9(2,3)4;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)6-8-7-10-4-5-11-8;1-7-6-10-8(11-7)5-9(2,3)4;1-8(2,3)6-11-5-7(9)4-10-11;1-6-9-10-7(11-6)5-8(2,3)4/h4-10H,11-12H2,1-3H3;8-9,12H,4-7,10H2,1-3H3;4-7,9H,8H2,1-3H3;6-7H,8H2,1-5H3;6H,7H2,1-5H3;5-7H,8H2,1-4H3;2*5-7H,8H2,1-4H3;4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-5,8H,6H2,1-3H3;2*6-7H,5H2,1-4H3;3*5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3;6H,5H2,1-4H3;4-5H,6H2,1-3H3;5H2,1-4H3/t;;;;;;;;;;;;8-;;;;;;;;;;;;;/m............1............./s1
InChIKeyREODITXIBCCFCA-VSCIPXIWSA-N
XLogP65.62
TPSA576.23 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds36
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004509.44
LogP ≤ 565.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole (CID 160603322) is 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole is CC(C)(C)Cc1ccn(C(F)F)n1.CC(C)(C)Cc1ccn(C2CCCC2)n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cnccn1.CC(C)(C)Cc1ncc(Cl)cn1.CC(C)(C)Cc1ncccc1F.CC(C)(C)Cc1nccn1Cc1ccccc1.CC(C)(C)Cn1cc(Cl)cn1.CC(C)(C)Cn1ccc(C(F)(F)F)n1.CCn1cc(CC(C)(C)C)cn1.CN(C)c1ccnc(CC(C)(C)C)n1.COc1cc(OC)nc(CC(C)(C)C)n1.COc1cccnc1CC(C)(C)C.COc1ccnc(CC(C)(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cccc(CC(C)(C)C)n1.Cc1cccnc1CC(C)(C)C.Cc1ccnc(CC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)o1.Cc1cncc(CC(C)(C)C)n1.Cc1cnn(CC(C)(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1cc(CC(C)(C)C)cn1.Cn1ccc(CC(C)(C)C)n1.Cn1ccnc1CC(C)(C)C.Cn1cnc(CC(C)(C)C)c1.
What is the InChIKey of 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is REODITXIBCCFCA-VSCIPXIWSA-N. The full InChI is InChI=1S/C15H20N2.C13H22N2.C12H16N2.C11H19N3.C11H18N2O2.C11H17NO.2C11H17N.C10H14FN.C10H16N2O.3C10H16N2.C10H18N2.C9H13ClN2.C9H13F3N2.C9H14F2N2.5C9H16N2.C9H14N2.C9H15NO.C8H13ClN2.C8H14N2O/c1-15(2,3)11-14-16-9-10-17(14)12-13-7-5-4-6-8-13;1-13(2,3)10-11-8-9-15(14-11)12-6-4-5-7-12;1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-11(2,3)8-9-12-7-6-10(13-9)14(4)5;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-11(2,3)8-9-10(13-4)6-5-7-12-9;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9-6-5-7-10(12-9)8-11(2,3)4;1-10(2,3)7-9-8(11)5-4-6-12-9;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-7-9(12-8)5-10(2,3)4;1-8-5-6-11-9(12-8)7-10(2,3)4;1-8(10(2,3)4)9-11-6-5-7-12-9;1-5-12-8-9(7-11-12)6-10(2,3)4;1-9(2,3)4-8-11-5-7(10)6-12-8;1-8(2,3)6-14-5-4-7(13-14)9(10,11)12;1-9(2,3)6-7-4-5-13(12-7)8(10)11;1-9(2,3)5-8-6-11(4)7-10-8;1-9(2,3)5-8-6-10-11(4)7-8;1-8-5-10-11(6-8)7-9(2,3)4;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)6-8-7-10-4-5-11-8;1-7-6-10-8(11-7)5-9(2,3)4;1-8(2,3)6-11-5-7(9)4-10-11;1-6-9-10-7(11-6)5-8(2,3)4/h4-10H,11-12H2,1-3H3;8-9,12H,4-7,10H2,1-3H3;4-7,9H,8H2,1-3H3;6-7H,8H2,1-5H3;6H,7H2,1-5H3;5-7H,8H2,1-4H3;2*5-7H,8H2,1-4H3;4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-5,8H,6H2,1-3H3;2*6-7H,5H2,1-4H3;3*5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3;6H,5H2,1-4H3;4-5H,6H2,1-3H3;5H2,1-4H3/t;;;;;;;;;;;;8-;;;;;;;;;;;;;/m............1............./s1.
What are the key properties of 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole?
1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 4509.44 g/mol, XLogP of 65.62, 36 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2,2-dimethylpropyl)imidazole;4-chloro-1-(2,2-dimethylpropyl)pyrazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-N,N-dimethylpyrimidin-4-amine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-6-methylpyrazine;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)pyrazine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 160603322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).