tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)

C103H86F12N12O9 — CID 165010127

IUPACtert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)
SMILESCC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.CC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.CC(=O)c1ccc(-c2n[nH]c3ccc(C)cc23)cc1.CC(=O)c1cccc(-c2nn(C(=O)OC(C)(C)C)c3ccc(C(F)(F)F)cc23)c1.CC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21.Cc1ccc(-c2n[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C21H19F3N2O3.C19H17F3N2O3.2C16H11F3N2O.C16H14N2O.C15H14N2/c1-12(27)13-6-5-7-14(10-13)18-16-11-15(21(22,23)24)8-9-17(16)26(25-18)19(28)29-20(2,3)4;1-18(2,3)27-17(26)24-15-9-6-12(19(20,21)22)10-14(15)16(23-24)11-4-7-13(25)8-5-11;2*1-9(22)10-2-4-11(5-3-10)15-13-8-12(16(17,18)19)6-7-14(13)20-21-15;1-10-3-8-15-14(9-10)16(18-17-15)13-6-4-12(5-7-13)11(2)19;1-10-3-6-12(7-4-10)15-13-9-11(2)5-8-14(13)16-17-15/h5-11H,1-4H3;4-10,25H,1-3H3;2*2-8H,1H3,(H,20,21);3-9H,1-2H3,(H,17,18);3-9H,1-2H3,(H,16,17)
InChIKeyJOOSZUSAQFGVIF-UHFFFAOYSA-N
MW1863.87 g/mol
LogP27.41
Rot. Bonds10

About tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)

tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone) (PubChem CID 165010127) has the molecular formula C103H86F12N12O9 and a molecular weight of 1863.87 g/mol. Its IUPAC name is tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone).

Molecular Properties

Compound Nametert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)
PubChem CID165010127
Molecular FormulaC103H86F12N12O9
Molecular Weight1863.87 g/mol
Exact Mass1862.64
IUPAC Nametert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)
SMILESCC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.CC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.CC(=O)c1ccc(-c2n[nH]c3ccc(C)cc23)cc1.CC(=O)c1cccc(-c2nn(C(=O)OC(C)(C)C)c3ccc(C(F)(F)F)cc23)c1.CC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21.Cc1ccc(-c2n[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C21H19F3N2O3.C19H17F3N2O3.2C16H11F3N2O.C16H14N2O.C15H14N2/c1-12(27)13-6-5-7-14(10-13)18-16-11-15(21(22,23)24)8-9-17(16)26(25-18)19(28)29-20(2,3)4;1-18(2,3)27-17(26)24-15-9-6-12(19(20,21)22)10-14(15)16(23-24)11-4-7-13(25)8-5-11;2*1-9(22)10-2-4-11(5-3-10)15-13-8-12(16(17,18)19)6-7-14(13)20-21-15;1-10-3-8-15-14(9-10)16(18-17-15)13-6-4-12(5-7-13)11(2)19;1-10-3-6-12(7-4-10)15-13-9-11(2)5-8-14(13)16-17-15/h5-11H,1-4H3;4-10,25H,1-3H3;2*2-8H,1H3,(H,20,21);3-9H,1-2H3,(H,17,18);3-9H,1-2H3,(H,16,17)
InChIKeyJOOSZUSAQFGVIF-UHFFFAOYSA-N
XLogP27.41
TPSA291.47 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.87
LogP ≤ 527.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone) with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-5-methyl-1H-indazole;tert-butyl 3-(3-carbamoylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;4-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)phenol;4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide;4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
CID 162213123
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate
CID 157153291

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)?
The IUPAC name of tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone) (CID 165010127) is tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone).
What is the SMILES notation for tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)?
The canonical SMILES for tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone) is CC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.CC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.CC(=O)c1ccc(-c2n[nH]c3ccc(C)cc23)cc1.CC(=O)c1cccc(-c2nn(C(=O)OC(C)(C)C)c3ccc(C(F)(F)F)cc23)c1.CC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21.Cc1ccc(-c2n[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)?
The InChIKey is JOOSZUSAQFGVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3.C19H17F3N2O3.2C16H11F3N2O.C16H14N2O.C15H14N2/c1-12(27)13-6-5-7-14(10-13)18-16-11-15(21(22,23)24)8-9-17(16)26(25-18)19(28)29-20(2,3)4;1-18(2,3)27-17(26)24-15-9-6-12(19(20,21)22)10-14(15)16(23-24)11-4-7-13(25)8-5-11;2*1-9(22)10-2-4-11(5-3-10)15-13-8-12(16(17,18)19)6-7-14(13)20-21-15;1-10-3-8-15-14(9-10)16(18-17-15)13-6-4-12(5-7-13)11(2)19;1-10-3-6-12(7-4-10)15-13-9-11(2)5-8-14(13)16-17-15/h5-11H,1-4H3;4-10,25H,1-3H3;2*2-8H,1H3,(H,20,21);3-9H,1-2H3,(H,17,18);3-9H,1-2H3,(H,16,17).
What are the key properties of tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)?
tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone) has a molecular weight of 1863.87 g/mol, XLogP of 27.41, 10 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone) is sourced from PubChem (CID 165010127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).