4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid

C169H121Cl2N19O28 — CID 158062187

About 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid

4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid (PubChem CID 158062187) has the molecular formula C169H121Cl2N19O28 and a molecular weight of 2936.84 g/mol. Its IUPAC name is 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid
• PubChem CID: 158062187
• Molecular Formula: C169H121Cl2N19O28
• Molecular Weight: 2936.84 g/mol
• Exact Mass: 2933.80
• IUPAC Name: 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid
• SMILES: C=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3cc(OC)ccc23)cc1.COc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.NC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.O=C(O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1.O=C(O)c1ccc(-n2nc(-c3ccc([NH+]([O-])O)cc3)c3ccccc32)cc1
• InChI: InChI=1S/C24H18N2O4.C22H18N2O4.C21H15N3O3.C21H14N2O4.C21H16N2O3.C20H12Cl2N2O2.C20H15N3O4.C20H13N3O4/c1-2-15-30-24(29)18-9-7-16(8-10-18)22-20-5-3-4-6-21(20)26(25-22)19-13-11-17(12-14-19)23(27)28;1-27-17-9-5-14(6-10-17)21-19-12-11-18(28-2)13-20(19)24(23-21)16-7-3-15(4-8-16)22(25)26;22-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)24(23-19)16-11-9-15(10-12-16)21(26)27;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)23(22-19)16-11-9-15(10-12-16)21(26)27;1-26-17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)23(22-20)16-10-6-15(7-11-16)21(24)25;21-14-5-1-12(2-6-14)19-17-10-7-15(22)11-18(17)24(23-19)16-8-3-13(4-9-16)20(25)26;24-20(25)14-7-9-15(10-8-14)22-18-4-2-1-3-17(18)19(21-22)13-5-11-16(12-6-13)23(26)27;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)22(21-19)15-9-11-16(12-10-15)23(26)27/h2-14H,1,15H2,(H,27,28);3-13H,1-2H3,(H,25,26);1-12H,(H2,22,25)(H,26,27);1-12H,(H,24,25)(H,26,27);2-13H,1H3,(H,24,25);1-11H,(H,25,26);1-12,23,26H,(H,24,25);1-12H,(H,24,25)
• InChIKey: FKUAEYLGRIFUDD-UHFFFAOYSA-N
• XLogP: 33.91
• TPSA: 666.21 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2936.84
LogP ≤ 5	33.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid?

The IUPAC name of 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid (CID 158062187) is 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid.

What is the SMILES notation for 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid?

The canonical SMILES for 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid is C=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.COc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3cc(OC)ccc23)cc1.COc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.NC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.O=C(O)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.O=C(O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1.O=C(O)c1ccc(-n2nc(-c3ccc([NH+]([O-])O)cc3)c3ccccc32)cc1.

What is the InChIKey of 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid?

The InChIKey is FKUAEYLGRIFUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4.C22H18N2O4.C21H15N3O3.C21H14N2O4.C21H16N2O3.C20H12Cl2N2O2.C20H15N3O4.C20H13N3O4/c1-2-15-30-24(29)18-9-7-16(8-10-18)22-20-5-3-4-6-21(20)26(25-22)19-13-11-17(12-14-19)23(27)28;1-27-17-9-5-14(6-10-17)21-19-12-11-18(28-2)13-20(19)24(23-21)16-7-3-15(4-8-16)22(25)26;22-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)24(23-19)16-11-9-15(10-12-16)21(26)27;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)23(22-19)16-11-9-15(10-12-16)21(26)27;1-26-17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)23(22-20)16-10-6-15(7-11-16)21(24)25;21-14-5-1-12(2-6-14)19-17-10-7-15(22)11-18(17)24(23-19)16-8-3-13(4-9-16)20(25)26;24-20(25)14-7-9-15(10-8-14)22-18-4-2-1-3-17(18)19(21-22)13-5-11-16(12-6-13)23(26)27;24-20(25)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)22(21-19)15-9-11-16(12-10-15)23(26)27/h2-14H,1,15H2,(H,27,28);3-13H,1-2H3,(H,25,26);1-12H,(H2,22,25)(H,26,27);1-12H,(H,24,25)(H,26,27);2-13H,1H3,(H,24,25);1-11H,(H,25,26);1-12,23,26H,(H,24,25);1-12H,(H,24,25).

What are the key properties of 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid?

4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid has a molecular weight of 2936.84 g/mol, XLogP of 33.91, 34 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-carbamoylphenyl)indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]-N-hydroxybenzeneamine oxide;4-[6-chloro-3-(4-chlorophenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrophenyl)indazol-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid is sourced from PubChem (CID 158062187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).