4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane

C173H231ClF15N21O3 — CID 161223937

IUPAC4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1c(F)cc(-c2cn[nH]c2)cc1F.CC(C)(C)c1c(O)cc(-c2cn[nH]c2)cc1F.CC(C)(C)c1cc(-n2cccn2)ccc1O.CC(C)(C)c1cc(F)c(-c2cn[nH]c2)cc1Cl.CC(C)(C)c1cc(F)c(-c2cn[nH]c2)cc1F.CC(C)(C)c1cc(F)c(C2=CC=NC2)cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)c(F)c1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc(-n2ccnc2)cc1F.CC(C)(C)c1ccc(C2=CC=NC2)cc1F.CC1=NCC(c2ccc(C(C)(C)C)c(F)c2)=C1.COc1cc(-c2cn[nH]c2)cc(F)c1C(C)(C)C
InChIInChI=1S/C15H18FN.C14H15F2N.C14H17FN2O.C14H16FN.C13H14ClFN2.3C13H14F2N2.C13H15FN2O.2C13H15FN2.C13H16N2O.12CH4/c1-10-7-12(9-17-10)11-5-6-13(14(16)8-11)15(2,3)4;1-14(2,3)11-7-12(15)10(6-13(11)16)9-4-5-17-8-9;1-14(2,3)13-11(15)5-9(6-12(13)18-4)10-7-16-17-8-10;1-14(2,3)12-5-4-10(8-13(12)15)11-6-7-16-9-11;1-13(2,3)10-5-12(15)9(4-11(10)14)8-6-16-17-7-8;1-13(2,3)10-5-11(14)9(4-12(10)15)8-6-16-17-7-8;1-13(2,3)12-10(14)4-8(5-11(12)15)9-6-16-17-7-9;1-13(2,3)10-5-4-9(11(14)12(10)15)8-6-16-17-7-8;1-13(2,3)12-10(14)4-8(5-11(12)17)9-6-15-16-7-9;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)11-5-4-10(8-12(11)14)16-7-6-15-9-16;1-13(2,3)11-9-10(5-6-12(11)16)15-8-4-7-14-15;;;;;;;;;;;;/h5-8H,9H2,1-4H3;4-7H,8H2,1-3H3;5-8H,1-4H3,(H,16,17);4-8H,9H2,1-3H3;4*4-7H,1-3H3,(H,16,17);4-7,17H,1-3H3,(H,15,16);4-8H,1-3H3,(H,15,16);4-9H,1-3H3;4-9,16H,1-3H3;12*1H4
InChIKeyUXWMBMSDGKXHNR-UHFFFAOYSA-N
MW2973.32 g/mol
LogP50.50
Rot. Bonds13

About 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane

4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane (PubChem CID 161223937) has the molecular formula C173H231ClF15N21O3 and a molecular weight of 2973.32 g/mol. Its IUPAC name is 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane.

Molecular Properties

Compound Name4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane
PubChem CID161223937
Molecular FormulaC173H231ClF15N21O3
Molecular Weight2973.32 g/mol
Exact Mass2970.80
IUPAC Name4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1c(F)cc(-c2cn[nH]c2)cc1F.CC(C)(C)c1c(O)cc(-c2cn[nH]c2)cc1F.CC(C)(C)c1cc(-n2cccn2)ccc1O.CC(C)(C)c1cc(F)c(-c2cn[nH]c2)cc1Cl.CC(C)(C)c1cc(F)c(-c2cn[nH]c2)cc1F.CC(C)(C)c1cc(F)c(C2=CC=NC2)cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)c(F)c1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc(-n2ccnc2)cc1F.CC(C)(C)c1ccc(C2=CC=NC2)cc1F.CC1=NCC(c2ccc(C(C)(C)C)c(F)c2)=C1.COc1cc(-c2cn[nH]c2)cc(F)c1C(C)(C)C
InChIInChI=1S/C15H18FN.C14H15F2N.C14H17FN2O.C14H16FN.C13H14ClFN2.3C13H14F2N2.C13H15FN2O.2C13H15FN2.C13H16N2O.12CH4/c1-10-7-12(9-17-10)11-5-6-13(14(16)8-11)15(2,3)4;1-14(2,3)11-7-12(15)10(6-13(11)16)9-4-5-17-8-9;1-14(2,3)13-11(15)5-9(6-12(13)18-4)10-7-16-17-8-10;1-14(2,3)12-5-4-10(8-13(12)15)11-6-7-16-9-11;1-13(2,3)10-5-12(15)9(4-11(10)14)8-6-16-17-7-8;1-13(2,3)10-5-11(14)9(4-12(10)15)8-6-16-17-7-8;1-13(2,3)12-10(14)4-8(5-11(12)15)9-6-16-17-7-9;1-13(2,3)10-5-4-9(11(14)12(10)15)8-6-16-17-7-8;1-13(2,3)12-10(14)4-8(5-11(12)17)9-6-15-16-7-9;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)11-5-4-10(8-12(11)14)16-7-6-15-9-16;1-13(2,3)11-9-10(5-6-12(11)16)15-8-4-7-14-15;;;;;;;;;;;;/h5-8H,9H2,1-4H3;4-7H,8H2,1-3H3;5-8H,1-4H3,(H,16,17);4-8H,9H2,1-3H3;4*4-7H,1-3H3,(H,16,17);4-7,17H,1-3H3,(H,15,16);4-8H,1-3H3,(H,15,16);4-9H,1-3H3;4-9,16H,1-3H3;12*1H4
InChIKeyUXWMBMSDGKXHNR-UHFFFAOYSA-N
XLogP50.50
TPSA323.17 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002973.32
LogP ≤ 550.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane with MolForge

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Related Compounds

1-(2-tert-butyl-4-fluorophenyl)-1,2,4-triazole;1-(2-tert-butyl-4-methoxyphenyl)-1,2,4-triazole;1-(2-tert-butyl-4-methylphenyl)-1,2,4-triazole;bis(1-(2-tert-butyl-5-methylphenyl)-1,2,4-triazole);1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;1-(2-tert-butylphenyl)-3-methyl-1,2,4-triazole;3-(2-tert-butylphenyl)-5-methyl-1H-1,2,4-triazole;5-(2-tert-butylphenyl)-1H-pyrazole;1-(2-tert-butylphenyl)triazole;1-(2-tert-butylphenyl)-1,2,4-triazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;methane
CID 160415596
1-(4-tert-butyl-3-chlorophenyl)imidazole;4-(4-tert-butyl-3-chlorophenyl)-1-methylpyrazole;1-(4-tert-butyl-3-chlorophenyl)pyrazole;4-(4-tert-butyl-3-chlorophenyl)-1H-pyrazole;4-(3-tert-butyl-4-chlorophenyl)pyrimidin-2-amine;4-(4-tert-butyl-3-chlorophenyl)pyrimidin-2-amine;1-(4-tert-butyl-3-chlorophenyl)triazole;1-(4-tert-butyl-3-chlorophenyl)-1,2,4-triazole;1-(4-tert-butyl-3-methoxyphenyl)pyrazole;2-tert-butyl-5-[3-(methylamino)pyrazol-1-yl]phenol;methane
CID 157055591
4-(3-tert-butyl-4-fluorophenyl)-1-methylpyrazole;1-(2-tert-butyl-3-fluorophenyl)pyrazole;1-(2-tert-butyl-4-fluorophenyl)-3H-pyrazol-1-ium;3-(5-tert-butyl-2-methoxyphenyl)-1-methylpyrazole;1-(4-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-4-methylpyrazole;4-(3-tert-butylphenyl)-1-methylpyrazole;4-(3-tert-butylphenyl)-1H-pyrazole;5-(3-tert-butylphenyl)-1H-pyrazole;5-(4-tert-butylphenyl)-1H-pyrazole;3-(4-tert-butylphenyl)-1H-pyrrole
CID 158946970
3-(3-tert-butyl-4-fluorophenyl)-1-methylpyrrole;1-(2-tert-butyl-3-fluorophenyl)pyrazole;1-(2-tert-butyl-4-fluorophenyl)pyrazole;3-(5-tert-butyl-2-methoxyphenyl)-1-methylpyrazole;1-(4-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-4-methylpyrazole;3-(3-tert-butylphenyl)-1-methylpyrrole;5-(3-tert-butylphenyl)-1H-pyrazole;5-(4-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)-1H-pyrrole;3-(4-tert-butylphenyl)-1H-pyrrole
CID 160276224
4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-fluorobenzene;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;4-tert-butylnaphthalen-2-ol
CID 160593872
4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol
CID 160723413
4-tert-butyl-5-chloro-1H-indazole;tetrakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol
CID 161476308
1-(4-tert-butyl-3-chlorophenyl)pyrazol-3-amine;4-(4-tert-butyl-3-chlorophenyl)pyrimidin-2-amine;1-(4-tert-butyl-3-chlorophenyl)triazole;2-(4-tert-butyl-3-chlorophenyl)triazole;2-tert-butyl-3-chloro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)pyridine;1-(4-tert-butyl-3-methoxyphenyl)-N-methylpyrazol-3-amine
CID 161779949
4-(3-tert-butyl-4-fluorophenyl)-1-methylpyrazole;1-(2-tert-butyl-3-fluorophenyl)pyrazole;1-(2-tert-butyl-4-fluorophenyl)pyrazole;3-(5-tert-butyl-2-methoxyphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)-4-fluoropyrazole;1-(4-tert-butylphenyl)imidazole;4-(3-tert-butylphenyl)-1-methylpyrazole;4-(3-tert-butylphenyl)-1H-pyrazole;5-(3-tert-butylphenyl)-1H-pyrazole;5-(4-tert-butylphenyl)-1H-pyrazole;3-(4-tert-butylphenyl)-1H-pyrrole
CID 167569680
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene
CID 167579743
4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluoro-5-methoxyphenyl)-1H-pyrazole;5-(4-tert-butyl-2,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,3-difluorophenyl)-2H-pyrrole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;2-tert-butyl-3,4-difluoro-5-(1H-pyrazol-4-yl)phenol;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol
CID 167622342
1-(3-tert-butyl-4-fluorophenyl)-4-methylpyrazole;4-(3-tert-butyl-4-fluorophenyl)-1-methylpyrazole;1-(2-tert-butyl-3-fluorophenyl)pyrazole;1-(2-tert-butyl-4-fluorophenyl)pyrazole;3-(5-tert-butyl-2-methoxyphenyl)-1-methylpyrazole;1-(4-tert-butylphenyl)imidazole;4-(3-tert-butylphenyl)-1-methylpyrazole;4-(3-tert-butylphenyl)-1H-pyrazole;5-(3-tert-butylphenyl)-1H-pyrazole;5-(4-tert-butylphenyl)-1H-pyrazole;3-(4-tert-butylphenyl)-1H-pyrrole
CID 167659988

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane?
The IUPAC name of 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane (CID 161223937) is 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane.
What is the SMILES notation for 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane?
The canonical SMILES for 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1c(F)cc(-c2cn[nH]c2)cc1F.CC(C)(C)c1c(O)cc(-c2cn[nH]c2)cc1F.CC(C)(C)c1cc(-n2cccn2)ccc1O.CC(C)(C)c1cc(F)c(-c2cn[nH]c2)cc1Cl.CC(C)(C)c1cc(F)c(-c2cn[nH]c2)cc1F.CC(C)(C)c1cc(F)c(C2=CC=NC2)cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)c(F)c1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc(-n2ccnc2)cc1F.CC(C)(C)c1ccc(C2=CC=NC2)cc1F.CC1=NCC(c2ccc(C(C)(C)C)c(F)c2)=C1.COc1cc(-c2cn[nH]c2)cc(F)c1C(C)(C)C.
What is the InChIKey of 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane?
The InChIKey is UXWMBMSDGKXHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN.C14H15F2N.C14H17FN2O.C14H16FN.C13H14ClFN2.3C13H14F2N2.C13H15FN2O.2C13H15FN2.C13H16N2O.12CH4/c1-10-7-12(9-17-10)11-5-6-13(14(16)8-11)15(2,3)4;1-14(2,3)11-7-12(15)10(6-13(11)16)9-4-5-17-8-9;1-14(2,3)13-11(15)5-9(6-12(13)18-4)10-7-16-17-8-10;1-14(2,3)12-5-4-10(8-13(12)15)11-6-7-16-9-11;1-13(2,3)10-5-12(15)9(4-11(10)14)8-6-16-17-7-8;1-13(2,3)10-5-11(14)9(4-12(10)15)8-6-16-17-7-8;1-13(2,3)12-10(14)4-8(5-11(12)15)9-6-16-17-7-9;1-13(2,3)10-5-4-9(11(14)12(10)15)8-6-16-17-7-8;1-13(2,3)12-10(14)4-8(5-11(12)17)9-6-15-16-7-9;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)11-5-4-10(8-12(11)14)16-7-6-15-9-16;1-13(2,3)11-9-10(5-6-12(11)16)15-8-4-7-14-15;;;;;;;;;;;;/h5-8H,9H2,1-4H3;4-7H,8H2,1-3H3;5-8H,1-4H3,(H,16,17);4-8H,9H2,1-3H3;4*4-7H,1-3H3,(H,16,17);4-7,17H,1-3H3,(H,15,16);4-8H,1-3H3,(H,15,16);4-9H,1-3H3;4-9,16H,1-3H3;12*1H4.
What are the key properties of 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane?
4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane has a molecular weight of 2973.32 g/mol, XLogP of 50.50, 13 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-5-chloro-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,3-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-2,5-difluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3,5-difluorophenyl)-1H-pyrazole;3-(4-tert-butyl-2,5-difluorophenyl)-2H-pyrrole;4-(4-tert-butyl-3-fluoro-5-methoxyphenyl)-1H-pyrazole;1-(4-tert-butyl-3-fluorophenyl)imidazole;3-(4-tert-butyl-3-fluorophenyl)-5-methyl-2H-pyrrole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;3-(4-tert-butyl-3-fluorophenyl)-2H-pyrrole;2-tert-butyl-3-fluoro-5-(1H-pyrazol-4-yl)phenol;2-tert-butyl-4-pyrazol-1-ylphenol;methane is sourced from PubChem (CID 161223937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).