5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine

C183H227ClF4N32O2 — CID 159305167

IUPAC5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
SMILESCC(C)(C)c1cc2cn[nH]c2cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)c(F)c1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cn1.CC(C)(C)c1ccc(-c2cn[nH]c2)nc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1Cl.CC(C)(C)c1ccc2[nH]ncc2c1F.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.COc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.COc1cc(C(C)(C)C)ccc1-c1cn[nH]c1.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1c(C(C)(C)C)ccc2[nH]ncc12
InChIInChI=1S/2C14H18N2O.2C13H15FN2.2C13H16N2.2C12H15N3.2C12H16N2.C11H13ClN2.2C11H13FN2.2C11H14N2/c1-14(2,3)11-5-6-12(13(7-11)17-4)10-8-15-16-9-10;1-14(2,3)12-6-5-10(7-13(12)17-4)11-8-15-16-9-11;1-13(2,3)10-4-5-11(12(14)6-10)9-7-15-16-8-9;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)12-6-4-10(5-7-12)11-8-14-15-9-11;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-12(2,3)10-4-5-11(13-8-10)9-6-14-15-7-9;1-12(2,3)11-5-4-9(6-13-11)10-7-14-15-8-10;1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)8-4-7-6-13-14-10(7)5-9(8)12;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h2*5-9H,1-4H3,(H,15,16);2*4-8H,1-3H3,(H,15,16);2*4-9H,1-3H3,(H,14,15);2*4-8H,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13)
InChIKeyLBVFFTLNMAAYPH-UHFFFAOYSA-N
MW3018.50 g/mol
LogP47.65
Rot. Bonds10

About 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine

5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine (PubChem CID 159305167) has the molecular formula C183H227ClF4N32O2 and a molecular weight of 3018.50 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
PubChem CID159305167
Molecular FormulaC183H227ClF4N32O2
Molecular Weight3018.50 g/mol
Exact Mass3015.83
IUPAC Name5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
SMILESCC(C)(C)c1cc2cn[nH]c2cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)c(F)c1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cn1.CC(C)(C)c1ccc(-c2cn[nH]c2)nc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1Cl.CC(C)(C)c1ccc2[nH]ncc2c1F.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.COc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.COc1cc(C(C)(C)C)ccc1-c1cn[nH]c1.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1c(C(C)(C)C)ccc2[nH]ncc12
InChIInChI=1S/2C14H18N2O.2C13H15FN2.2C13H16N2.2C12H15N3.2C12H16N2.C11H13ClN2.2C11H13FN2.2C11H14N2/c1-14(2,3)11-5-6-12(13(7-11)17-4)10-8-15-16-9-10;1-14(2,3)12-6-5-10(7-13(12)17-4)11-8-15-16-9-11;1-13(2,3)10-4-5-11(12(14)6-10)9-7-15-16-8-9;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)12-6-4-10(5-7-12)11-8-14-15-9-11;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-12(2,3)10-4-5-11(13-8-10)9-6-14-15-7-9;1-12(2,3)11-5-4-9(6-13-11)10-7-14-15-8-10;1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)8-4-7-6-13-14-10(7)5-9(8)12;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h2*5-9H,1-4H3,(H,15,16);2*4-8H,1-3H3,(H,15,16);2*4-9H,1-3H3,(H,14,15);2*4-8H,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13)
InChIKeyLBVFFTLNMAAYPH-UHFFFAOYSA-N
XLogP47.65
TPSA474.44 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003018.50
LogP ≤ 547.65
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Analyze 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine with MolForge

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Related Compounds

[2-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 157634151
1-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanone;2-[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanamine;1-butyl-4-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 159302933
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole
CID 159928563
1-Butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine
CID 161565763
4-[[(6R)-6-[1-(difluoromethyl)-2-[[4-[[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-1H-indol-7-yl]methyl]pyrazol-2-ium-4-yl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 168994384
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine
CID 157060853
6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol
CID 157316304
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157457266
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;4-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157534800
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-N,N-dimethyl-1H-indazol-3-amine;5-tert-butyl-N,N-dimethyl-1H-indazol-4-amine;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-6-methoxy-1H-indazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(4-tert-butylphenyl)-5-fluoro-1H-pyrazole;4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 157810684
6-chloro-7-methoxy-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indazole;7-chloro-4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;7-ethyl-5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indene;6-fluoro-7-methoxy-4-propan-2-yl-1H-isoindole
CID 158677108
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;2-tert-butylquinoline;8-tert-butylquinoline
CID 158687537

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine?
The IUPAC name of 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine (CID 159305167) is 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine is CC(C)(C)c1cc2cn[nH]c2cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)c(F)c1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cn1.CC(C)(C)c1ccc(-c2cn[nH]c2)nc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1Cl.CC(C)(C)c1ccc2[nH]ncc2c1F.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.COc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.COc1cc(C(C)(C)C)ccc1-c1cn[nH]c1.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1c(C(C)(C)C)ccc2[nH]ncc12.
What is the InChIKey of 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine?
The InChIKey is LBVFFTLNMAAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18N2O.2C13H15FN2.2C13H16N2.2C12H15N3.2C12H16N2.C11H13ClN2.2C11H13FN2.2C11H14N2/c1-14(2,3)11-5-6-12(13(7-11)17-4)10-8-15-16-9-10;1-14(2,3)12-6-5-10(7-13(12)17-4)11-8-15-16-9-11;1-13(2,3)10-4-5-11(12(14)6-10)9-7-15-16-8-9;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)12-6-4-10(5-7-12)11-8-14-15-9-11;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-12(2,3)10-4-5-11(13-8-10)9-6-14-15-7-9;1-12(2,3)11-5-4-9(6-13-11)10-7-14-15-8-10;1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)8-4-7-6-13-14-10(7)5-9(8)12;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h2*5-9H,1-4H3,(H,15,16);2*4-8H,1-3H3,(H,15,16);2*4-9H,1-3H3,(H,14,15);2*4-8H,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13).
What are the key properties of 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine?
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine has a molecular weight of 3018.50 g/mol, XLogP of 47.65, 10 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 159305167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).