3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate

C104H84F6N16O9 — CID 160531054

IUPAC3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1.Cc1ccc2[nH]nc(-c3ccc(C(=O)O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc(CO)cc3)c2c1.Cc1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1.Cc1ccc2[nH]nc(-c3cccc(CO)c3)c2c1.Cc1ccc2[nH]nc(-c3cccnc3)c2c1.FC(F)(F)c1ccc2c(-c3ccc4c(c3)OCO4)n[nH]c2c1
InChIInChI=1S/C16H11F3N2O2.C15H9F3N2O2.C15H13N3O.C15H12N2O2.2C15H14N2O.C13H11N3/c1-23-15(22)10-4-2-9(3-5-10)14-12-7-6-11(16(17,18)19)8-13(12)20-21-14;16-15(17,18)9-2-3-10-11(6-9)19-20-14(10)8-1-4-12-13(5-8)22-7-21-12;1-9-5-6-13-12(7-9)14(18-17-13)10-3-2-4-11(8-10)15(16)19;1-9-2-7-13-12(8-9)14(17-16-13)10-3-5-11(6-4-10)15(18)19;1-10-2-7-14-13(8-10)15(17-16-14)12-5-3-11(9-18)4-6-12;1-10-5-6-14-13(7-10)15(17-16-14)12-4-2-3-11(8-12)9-18;1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h2-8H,1H3,(H,20,21);1-6H,7H2,(H,19,20);2-8H,1H3,(H2,16,19)(H,17,18);2-8H,1H3,(H,16,17)(H,18,19);2*2-8,18H,9H2,1H3,(H,16,17);2-8H,1H3,(H,15,16)
InChIKeyQVNPZZZXLZKSCV-UHFFFAOYSA-N
MW1815.91 g/mol
LogP22.88
Rot. Bonds12

About 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate

3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate (PubChem CID 160531054) has the molecular formula C104H84F6N16O9 and a molecular weight of 1815.91 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate
PubChem CID160531054
Molecular FormulaC104H84F6N16O9
Molecular Weight1815.91 g/mol
Exact Mass1814.65
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1.Cc1ccc2[nH]nc(-c3ccc(C(=O)O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc(CO)cc3)c2c1.Cc1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1.Cc1ccc2[nH]nc(-c3cccc(CO)c3)c2c1.Cc1ccc2[nH]nc(-c3cccnc3)c2c1.FC(F)(F)c1ccc2c(-c3ccc4c(c3)OCO4)n[nH]c2c1
InChIInChI=1S/C16H11F3N2O2.C15H9F3N2O2.C15H13N3O.C15H12N2O2.2C15H14N2O.C13H11N3/c1-23-15(22)10-4-2-9(3-5-10)14-12-7-6-11(16(17,18)19)8-13(12)20-21-14;16-15(17,18)9-2-3-10-11(6-9)19-20-14(10)8-1-4-12-13(5-8)22-7-21-12;1-9-5-6-13-12(7-9)14(18-17-13)10-3-2-4-11(8-10)15(16)19;1-9-2-7-13-12(8-9)14(17-16-13)10-3-5-11(6-4-10)15(18)19;1-10-2-7-14-13(8-10)15(17-16-14)12-5-3-11(9-18)4-6-12;1-10-5-6-14-13(7-10)15(17-16-14)12-4-2-3-11(8-12)9-18;1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h2-8H,1H3,(H,20,21);1-6H,7H2,(H,19,20);2-8H,1H3,(H2,16,19)(H,17,18);2-8H,1H3,(H,16,17)(H,18,19);2*2-8,18H,9H2,1H3,(H,16,17);2-8H,1H3,(H,15,16)
InChIKeyQVNPZZZXLZKSCV-UHFFFAOYSA-N
XLogP22.88
TPSA379.26 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001815.91
LogP ≤ 522.88
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Analyze 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate with MolForge

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Related Compounds

1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 158912201
3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 158995027
1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-5-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-5-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-5-yl)butane-1,4-dione
CID 160049069
1-[4-[1-(4-Methoxyphenyl)pyrazol-3-yl]phenyl]ethenol;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethenol
CID 160073359
1-[4-[1-(4-Methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone
CID 161330135
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-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2,2-dimethyl-5-oxooxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-oxocyclopentane-1-carboxamide
CID 157133267
N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-benzyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
CID 157151684
3-(1,3-benzodioxol-5-yl)-5-tert-butyl-1H-pyrazole;1-(4-tert-butylphenyl)-3-phenylpropan-2-one;[3-[2-(3-tert-butyl-1H-pyrazol-5-yl)ethyl]-5-methoxyphenyl]methanol;6-(5-tert-butyl-1H-pyrazol-3-yl)quinoxaline;5-tert-butylquinoline
CID 158197836
2-[4-[[5-[(3-aminophenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylmethylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(4-fluorophenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158511974
N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
CID 158558103
3-[4-(1,3-Benzodioxol-5-yl)pyrazol-1-yl]benzoic acid;3-[4-[4-(dimethylamino)phenyl]pyrazol-1-yl]benzoic acid;3-[4-(3-methoxyphenyl)pyrazol-1-yl]benzoic acid;4-[4-(3-methoxyphenyl)pyrazol-1-yl]benzoic acid;3-(4-phenylpyrazol-1-yl)benzoic acid;4-(4-phenylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid
CID 158656892

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate (CID 160531054) is 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate is COC(=O)c1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1.Cc1ccc2[nH]nc(-c3ccc(C(=O)O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc(CO)cc3)c2c1.Cc1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1.Cc1ccc2[nH]nc(-c3cccc(CO)c3)c2c1.Cc1ccc2[nH]nc(-c3cccnc3)c2c1.FC(F)(F)c1ccc2c(-c3ccc4c(c3)OCO4)n[nH]c2c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate?
The InChIKey is QVNPZZZXLZKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2.C15H9F3N2O2.C15H13N3O.C15H12N2O2.2C15H14N2O.C13H11N3/c1-23-15(22)10-4-2-9(3-5-10)14-12-7-6-11(16(17,18)19)8-13(12)20-21-14;16-15(17,18)9-2-3-10-11(6-9)19-20-14(10)8-1-4-12-13(5-8)22-7-21-12;1-9-5-6-13-12(7-9)14(18-17-13)10-3-2-4-11(8-10)15(16)19;1-9-2-7-13-12(8-9)14(17-16-13)10-3-5-11(6-4-10)15(18)19;1-10-2-7-14-13(8-10)15(17-16-14)12-5-3-11(9-18)4-6-12;1-10-5-6-14-13(7-10)15(17-16-14)12-4-2-3-11(8-12)9-18;1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h2-8H,1H3,(H,20,21);1-6H,7H2,(H,19,20);2-8H,1H3,(H2,16,19)(H,17,18);2-8H,1H3,(H,16,17)(H,18,19);2*2-8,18H,9H2,1H3,(H,16,17);2-8H,1H3,(H,15,16).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate?
3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate has a molecular weight of 1815.91 g/mol, XLogP of 22.88, 12 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate is sourced from PubChem (CID 160531054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).