3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline

C71H56ClFN18O12 — CID 159262687

IUPAC3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline
SMILESC=C(Cl)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccc(O)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H14N4O3.C15H11FN4O2.C15H12N4O3.C15H12N4O2.C10H7ClN2O2/c1-10(17-11-3-6-13(23-2)7-4-11)16-14-9-12(20(21)22)5-8-15(14)18-19-16;1-9(17-11-4-2-10(16)3-5-11)15-13-8-12(20(21)22)6-7-14(13)18-19-15;1-9(16-10-2-5-12(20)6-3-10)15-13-8-11(19(21)22)4-7-14(13)17-18-15;1-10(16-11-5-3-2-4-6-11)15-13-9-12(19(20)21)7-8-14(13)17-18-15;1-5(11)9-7-4-6(10(14)15)2-3-8(7)12-13-9/h3-9,17H,1H2,2H3,(H,18,19);2-8,17H,1H2,(H,18,19);2-8,16,20H,1H2,(H,17,18);2-9,16H,1H2,(H,17,18);2-4H,1H2,(H,12,13)(H,14,15)
InChIKeyKWSAYTXQNNFKOI-UHFFFAOYSA-N
MW1407.79 g/mol
LogP16.54
Rot. Bonds19

About 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline

3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline (PubChem CID 159262687) has the molecular formula C71H56ClFN18O12 and a molecular weight of 1407.79 g/mol. Its IUPAC name is 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline.

Molecular Properties

Compound Name3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline
PubChem CID159262687
Molecular FormulaC71H56ClFN18O12
Molecular Weight1407.79 g/mol
Exact Mass1406.40
IUPAC Name3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline
SMILESC=C(Cl)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccc(O)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H14N4O3.C15H11FN4O2.C15H12N4O3.C15H12N4O2.C10H7ClN2O2/c1-10(17-11-3-6-13(23-2)7-4-11)16-14-9-12(20(21)22)5-8-15(14)18-19-16;1-9(17-11-4-2-10(16)3-5-11)15-13-8-12(20(21)22)6-7-14(13)18-19-15;1-9(16-10-2-5-12(20)6-3-10)15-13-8-11(19(21)22)4-7-14(13)17-18-15;1-10(16-11-5-3-2-4-6-11)15-13-9-12(19(20)21)7-8-14(13)17-18-15;1-5(11)9-7-4-6(10(14)15)2-3-8(7)12-13-9/h3-9,17H,1H2,2H3,(H,18,19);2-8,17H,1H2,(H,18,19);2-8,16,20H,1H2,(H,17,18);2-9,16H,1H2,(H,17,18);2-4H,1H2,(H,12,13)(H,14,15)
InChIKeyKWSAYTXQNNFKOI-UHFFFAOYSA-N
XLogP16.54
TPSA430.84 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001407.79
LogP ≤ 516.54
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;3-(N-hydroxy-N'-phenylcarbamimidoyl)-1H-indazole-5-carboxylic acid;N-hydroxy-N'-phenyl-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;5-nitro-1H-indazol-3-amine
CID 159058338
3-[N'-(4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-indazole-5-carboxylic acid;3-[N-hydroxy-N'-(4-hydroxyphenyl)carbamimidoyl]-1H-indazole-5-carboxylic acid;N-hydroxy-N'-(4-hydroxyphenyl)-5-nitro-1H-indazole-3-carboximidamide;3-[N-hydroxy-N'-(4-methoxyphenyl)carbamimidoyl]-1H-indazole-5-carboxylic acid;N-hydroxy-N'-(4-methoxyphenyl)-5-nitro-1H-indazole-3-carboximidamide;3-(N-hydroxy-N'-phenylcarbamimidoyl)-1H-indazole-5-carboxylic acid;N-hydroxy-N'-phenyl-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;methyl 3-(N-hydroxy-N'-phenylcarbamimidoyl)-1H-indazole-5-carboxylate
CID 160175835
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-hydroxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate
CID 160792146
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 160888285
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;5-nitro-1H-indazol-3-amine
CID 161531370
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;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;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]benzonitrile
CID 161894260
4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate
CID 162086768

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline?
The IUPAC name of 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline (CID 159262687) is 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline.
What is the SMILES notation for 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline?
The canonical SMILES for 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline is C=C(Cl)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccc(O)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline?
The InChIKey is KWSAYTXQNNFKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3.C15H11FN4O2.C15H12N4O3.C15H12N4O2.C10H7ClN2O2/c1-10(17-11-3-6-13(23-2)7-4-11)16-14-9-12(20(21)22)5-8-15(14)18-19-16;1-9(17-11-4-2-10(16)3-5-11)15-13-8-12(20(21)22)6-7-14(13)18-19-15;1-9(16-10-2-5-12(20)6-3-10)15-13-8-11(19(21)22)4-7-14(13)17-18-15;1-10(16-11-5-3-2-4-6-11)15-13-9-12(19(20)21)7-8-14(13)17-18-15;1-5(11)9-7-4-6(10(14)15)2-3-8(7)12-13-9/h3-9,17H,1H2,2H3,(H,18,19);2-8,17H,1H2,(H,18,19);2-8,16,20H,1H2,(H,17,18);2-9,16H,1H2,(H,17,18);2-4H,1H2,(H,12,13)(H,14,15).
What are the key properties of 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline?
3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline has a molecular weight of 1407.79 g/mol, XLogP of 16.54, 19 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline is sourced from PubChem (CID 159262687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).