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

C113H91F12N17O13 — CID 162213123

IUPAC3-(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
SMILESCC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21.CC(C)(C)OC(=O)n1nc(-c2cccc(C(N)=O)c2)c2cc(C(F)(F)F)ccc21.Cc1ccc2[nH]nc(-c3ccc(C(N)=O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc(O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc4c(c3)OCO4)c2c1.NC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.O=C(O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C20H18F3N3O3.C19H17F3N2O3.C15H10F3N3O.C15H9F3N2O2.C15H13N3O.C15H12N2O2.C14H12N2O/c1-19(2,3)29-18(28)26-15-8-7-13(20(21,22)23)10-14(15)16(25-26)11-5-4-6-12(9-11)17(24)27;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;16-15(17,18)10-5-6-12-11(7-10)13(21-20-12)8-1-3-9(4-2-8)14(19)22;16-15(17,18)10-5-6-12-11(7-10)13(20-19-12)8-1-3-9(4-2-8)14(21)22;1-9-2-7-13-12(8-9)14(18-17-13)10-3-5-11(6-4-10)15(16)19;1-9-2-4-12-11(6-9)15(17-16-12)10-3-5-13-14(7-10)19-8-18-13;1-9-2-7-13-12(8-9)14(16-15-13)10-3-5-11(17)6-4-10/h4-10H,1-3H3,(H2,24,27);4-10,25H,1-3H3;1-7H,(H2,19,22)(H,20,21);1-7H,(H,19,20)(H,21,22);2-8H,1H3,(H2,16,19)(H,17,18);2-7H,8H2,1H3,(H,16,17);2-8,17H,1H3,(H,15,16)
InChIKeyZTCRLUXHLVYBCK-UHFFFAOYSA-N
MW2123.05 g/mol
LogP26.26
Rot. Bonds11

About 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

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 (PubChem CID 162213123) has the molecular formula C113H91F12N17O13 and a molecular weight of 2123.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID162213123
Molecular FormulaC113H91F12N17O13
Molecular Weight2123.05 g/mol
Exact Mass2121.68
IUPAC Name3-(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
SMILESCC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21.CC(C)(C)OC(=O)n1nc(-c2cccc(C(N)=O)c2)c2cc(C(F)(F)F)ccc21.Cc1ccc2[nH]nc(-c3ccc(C(N)=O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc(O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc4c(c3)OCO4)c2c1.NC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.O=C(O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C20H18F3N3O3.C19H17F3N2O3.C15H10F3N3O.C15H9F3N2O2.C15H13N3O.C15H12N2O2.C14H12N2O/c1-19(2,3)29-18(28)26-15-8-7-13(20(21,22)23)10-14(15)16(25-26)11-5-4-6-12(9-11)17(24)27;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;16-15(17,18)10-5-6-12-11(7-10)13(21-20-12)8-1-3-9(4-2-8)14(19)22;16-15(17,18)10-5-6-12-11(7-10)13(20-19-12)8-1-3-9(4-2-8)14(21)22;1-9-2-7-13-12(8-9)14(18-17-13)10-3-5-11(6-4-10)15(16)19;1-9-2-4-12-11(6-9)15(17-16-12)10-3-5-13-14(7-10)19-8-18-13;1-9-2-7-13-12(8-9)14(16-15-13)10-3-5-11(17)6-4-10/h4-10H,1-3H3,(H2,24,27);4-10,25H,1-3H3;1-7H,(H2,19,22)(H,20,21);1-7H,(H,19,20)(H,21,22);2-8H,1H3,(H2,16,19)(H,17,18);2-7H,8H2,1H3,(H,16,17);2-8,17H,1H3,(H,15,16)
InChIKeyZTCRLUXHLVYBCK-UHFFFAOYSA-N
XLogP26.26
TPSA457.13 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002123.05
LogP ≤ 526.26
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-6-chloro-1H-indazole;3-(1,3-benzodioxol-5-yl)-6-fluoro-1H-indazole;4-(6-chloro-1H-indazol-3-yl)benzoic acid;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
CID 158244813
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
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
3-(1,3-benzodioxol-5-yl)-6-chloro-1H-indazole;3-(1,3-benzodioxol-5-yl)-6-fluoro-1H-indazole;4-(6-chloro-1H-indazol-3-yl)benzoic acid;4-(6-fluoro-1H-indazol-3-yl)benzoic acid;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
CID 161317780
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21.CC(C)(C)OC(=O)n1nc(-c2cccc(C(N)=O)c2)c2cc(C(F)(F)F)ccc21.Cc1ccc2[nH]nc(-c3ccc(C(N)=O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc(O)cc3)c2c1.Cc1ccc2[nH]nc(-c3ccc4c(c3)OCO4)c2c1.NC(=O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.O=C(O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is ZTCRLUXHLVYBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3.C19H17F3N2O3.C15H10F3N3O.C15H9F3N2O2.C15H13N3O.C15H12N2O2.C14H12N2O/c1-19(2,3)29-18(28)26-15-8-7-13(20(21,22)23)10-14(15)16(25-26)11-5-4-6-12(9-11)17(24)27;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;16-15(17,18)10-5-6-12-11(7-10)13(21-20-12)8-1-3-9(4-2-8)14(19)22;16-15(17,18)10-5-6-12-11(7-10)13(20-19-12)8-1-3-9(4-2-8)14(21)22;1-9-2-7-13-12(8-9)14(18-17-13)10-3-5-11(6-4-10)15(16)19;1-9-2-4-12-11(6-9)15(17-16-12)10-3-5-13-14(7-10)19-8-18-13;1-9-2-7-13-12(8-9)14(16-15-13)10-3-5-11(17)6-4-10/h4-10H,1-3H3,(H2,24,27);4-10,25H,1-3H3;1-7H,(H2,19,22)(H,20,21);1-7H,(H,19,20)(H,21,22);2-8H,1H3,(H2,16,19)(H,17,18);2-7H,8H2,1H3,(H,16,17);2-8,17H,1H3,(H,15,16).
What are the key properties of 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?
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 has a molecular weight of 2123.05 g/mol, XLogP of 26.26, 11 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162213123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).