3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole

C155H259F2N27O6 — CID 159215064

IUPAC3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole
SMILESCC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCn1nccn1.CC(C)(C)Cn1nc2ccccc2n1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(C)(C)OCn1ccc(C(C)(F)F)n1.CC(C)(C)OCn1cccn1.CC(C)(C)On1nnnc1-c1ccccc1.CCc1nccn1CC1(CC(C)(C)C)CC1.Cc1cc(C)n(CCC(C)(C)C)n1.Cc1cccn1CC1(CC(C)(C)C)CC1.Cc1ccn(COC(C)(C)C)n1
InChIInChI=1S/C14H24N2.C14H23N.C14H27N.C13H25N.C13H21N.C11H14N4O.C11H15N3.C11H20N2.C10H16F2N2O.C10H15NO.C9H16N2O.C9H14N2O.C8H15N3.C8H14N2O/c1-5-12-15-8-9-16(12)11-14(6-7-14)10-13(2,3)4;1-12-6-5-9-15(12)11-14(7-8-14)10-13(2,3)4;1-13(2,3)11-14(7-8-14)12-15-9-5-4-6-10-15;2*1-12(2,3)10-13(6-7-13)11-14-8-4-5-9-14;1-11(2,3)16-15-10(12-13-14-15)9-7-5-4-6-8-9;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;1-9-8-10(2)13(12-9)7-6-11(3,4)5;1-9(2,3)15-7-14-6-5-8(13-14)10(4,11)12;1-10(2,3)12-8-9-5-4-6-11-7-9;1-8-5-6-11(10-8)7-12-9(2,3)4;1-9(2,3)12-7-8-10-5-4-6-11-8;1-8(2,3)4-7-11-9-5-6-10-11;1-8(2,3)11-7-10-6-4-5-9-10/h8-9H,5-7,10-11H2,1-4H3;5-6,9H,7-8,10-11H2,1-4H3;4-12H2,1-3H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;4-8H,1-3H3;4-7H,8H2,1-3H3;8H,6-7H2,1-5H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-6H,7H2,1-3H3;5-6H,4,7H2,1-3H3;4-6H,7H2,1-3H3
InChIKeyKQYQSTZTBUGRIP-UHFFFAOYSA-N
MW2634.96 g/mol
LogP37.64
Rot. Bonds34

About 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole

3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole (PubChem CID 159215064) has the molecular formula C155H259F2N27O6 and a molecular weight of 2634.96 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole
PubChem CID159215064
Molecular FormulaC155H259F2N27O6
Molecular Weight2634.96 g/mol
Exact Mass2633.08
IUPAC Name3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole
SMILESCC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCn1nccn1.CC(C)(C)Cn1nc2ccccc2n1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(C)(C)OCn1ccc(C(C)(F)F)n1.CC(C)(C)OCn1cccn1.CC(C)(C)On1nnnc1-c1ccccc1.CCc1nccn1CC1(CC(C)(C)C)CC1.Cc1cc(C)n(CCC(C)(C)C)n1.Cc1cccn1CC1(CC(C)(C)C)CC1.Cc1ccn(COC(C)(C)C)n1
InChIInChI=1S/C14H24N2.C14H23N.C14H27N.C13H25N.C13H21N.C11H14N4O.C11H15N3.C11H20N2.C10H16F2N2O.C10H15NO.C9H16N2O.C9H14N2O.C8H15N3.C8H14N2O/c1-5-12-15-8-9-16(12)11-14(6-7-14)10-13(2,3)4;1-12-6-5-9-15(12)11-14(7-8-14)10-13(2,3)4;1-13(2,3)11-14(7-8-14)12-15-9-5-4-6-10-15;2*1-12(2,3)10-13(6-7-13)11-14-8-4-5-9-14;1-11(2,3)16-15-10(12-13-14-15)9-7-5-4-6-8-9;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;1-9-8-10(2)13(12-9)7-6-11(3,4)5;1-9(2,3)15-7-14-6-5-8(13-14)10(4,11)12;1-10(2,3)12-8-9-5-4-6-11-7-9;1-8-5-6-11(10-8)7-12-9(2,3)4;1-9(2,3)12-7-8-10-5-4-6-11-8;1-8(2,3)4-7-11-9-5-6-10-11;1-8(2,3)11-7-10-6-4-5-9-10/h8-9H,5-7,10-11H2,1-4H3;5-6,9H,7-8,10-11H2,1-4H3;4-12H2,1-3H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;4-8H,1-3H3;4-7H,8H2,1-3H3;8H,6-7H2,1-5H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-6H,7H2,1-3H3;5-6H,4,7H2,1-3H3;4-6H,7H2,1-3H3
InChIKeyKQYQSTZTBUGRIP-UHFFFAOYSA-N
XLogP37.64
TPSA304.51 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002634.96
LogP ≤ 537.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole with MolForge

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Related Compounds

N-[2-[[[4-[3-[[2-[[[4-[3-[[2-[[3-[[2-[(2-fluoro-2-methylpropoxy)-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]methoxy-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 91050275
1-Tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;1-tert-butyl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;ethane;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
CID 157309994
4-Tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
CID 157684881
1-Tert-butyl-2-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1-tert-butylpyridin-1-ium-2-yl)-1-propan-2-ylbenzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
CID 157746672
CID 157774508
CID 157774508
1-(3,3-Dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]morpholine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
CID 158681154
CID 159234644
CID 159234644
3-(1,1-Difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole
CID 159352795
4-Tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
CID 159480374
1-Tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
CID 159790938
1-Tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;1-tert-butyl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;2-(1-tert-butylpyridin-1-ium-2-yl)-1-propan-2-ylbenzimidazole;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium
CID 160397027
4-Tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
CID 161079839

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole (CID 159215064) is 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole is CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCn1nccn1.CC(C)(C)Cn1nc2ccccc2n1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(C)(C)OCn1ccc(C(C)(F)F)n1.CC(C)(C)OCn1cccn1.CC(C)(C)On1nnnc1-c1ccccc1.CCc1nccn1CC1(CC(C)(C)C)CC1.Cc1cc(C)n(CCC(C)(C)C)n1.Cc1cccn1CC1(CC(C)(C)C)CC1.Cc1ccn(COC(C)(C)C)n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole?
The InChIKey is KQYQSTZTBUGRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.C14H23N.C14H27N.C13H25N.C13H21N.C11H14N4O.C11H15N3.C11H20N2.C10H16F2N2O.C10H15NO.C9H16N2O.C9H14N2O.C8H15N3.C8H14N2O/c1-5-12-15-8-9-16(12)11-14(6-7-14)10-13(2,3)4;1-12-6-5-9-15(12)11-14(7-8-14)10-13(2,3)4;1-13(2,3)11-14(7-8-14)12-15-9-5-4-6-10-15;2*1-12(2,3)10-13(6-7-13)11-14-8-4-5-9-14;1-11(2,3)16-15-10(12-13-14-15)9-7-5-4-6-8-9;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;1-9-8-10(2)13(12-9)7-6-11(3,4)5;1-9(2,3)15-7-14-6-5-8(13-14)10(4,11)12;1-10(2,3)12-8-9-5-4-6-11-7-9;1-8-5-6-11(10-8)7-12-9(2,3)4;1-9(2,3)12-7-8-10-5-4-6-11-8;1-8(2,3)4-7-11-9-5-6-10-11;1-8(2,3)11-7-10-6-4-5-9-10/h8-9H,5-7,10-11H2,1-4H3;5-6,9H,7-8,10-11H2,1-4H3;4-12H2,1-3H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;4-8H,1-3H3;4-7H,8H2,1-3H3;8H,6-7H2,1-5H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-6H,7H2,1-3H3;5-6H,4,7H2,1-3H3;4-6H,7H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole?
3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole has a molecular weight of 2634.96 g/mol, XLogP of 37.64, 34 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)triazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;3-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;1-[(2-methylpropan-2-yl)oxy]-5-phenyltetrazole is sourced from PubChem (CID 159215064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).