2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid

C188H154F15N24O24+ — CID 160556834

About 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid

2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid (PubChem CID 160556834) has the molecular formula C188H154F15N24O24+ and a molecular weight of 3418.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
• PubChem CID: 160556834
• Molecular Formula: C188H154F15N24O24+
• Molecular Weight: 3418.41 g/mol
• Exact Mass: 3416.13
• IUPAC Name: 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
• SMILES: CC(c1ccccc1)N1NC=C2C=C(C(=O)O)C=CC21.CC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.Cc1ccc(Cn2cc3cc(C(=O)O)ccc3n2)cc1.O=C(O)C1=CC2=CNN(Cc3ccc(C(F)(F)F)cc3)C2C=C1.O=C(O)C1=CC2=CNN(Cc3cccc(C(F)(F)F)c3)C2C=C1.O=C(O)C1=CC2C(C=C1)C=NN2Cc1ccc(F)cc1.O=C(O)c1ccc2c(c[nH][n+]2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2cn(Cc3ccc(F)cc3)nc2c1.O=C(O)c1ccc2nn(CCc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3cccc(C(F)(F)F)c3)cc2c1.O=C(O)c1cnc2c(ccn2Cc2ccc(F)cc2)c1
• InChI: InChI=1S/2C16H13F3N2O2.C16H11F3N2O2.2C16H13FN2O2.2C16H14N2O2.C16H16N2O2.C15H13FN2O2.3C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)8-21-9-12-7-11(15(22)23)4-5-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-10-13-9-12(16(20)21)3-6-15(13)18-19;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11-2-4-12(5-3-11)9-18-10-14-8-13(16(19)20)6-7-15(14)17-18;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-5-1-10(2-6-13)9-18-14-7-11(15(19)20)3-4-12(14)8-17-18;16-13-5-1-10(2-6-13)8-18-9-12-4-3-11(15(19)20)7-14(12)17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18;16-13-3-1-10(2-4-13)9-18-6-5-11-7-12(15(19)20)8-17-14(11)18/h2*1-8,14,20H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);2*1-6,9-10H,7-8H2,(H,20,21);2-8,10H,9H2,1H3,(H,19,20);2-11H,1H3,(H,19,20);2-11,15,17H,1H3,(H,19,20);1-8,12,14H,9H2,(H,19,20);2*1-7,9H,8H2,(H,19,20);1-8H,9H2,(H,19,20)/p+1
• InChIKey: NQVVWAWFYBZCFX-UHFFFAOYSA-O
• XLogP: 34.97
• TPSA: 653.42 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 34
• Rotatable Bonds: 38
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3418.41
LogP ≤ 5	34.97
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?

The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid (CID 160556834) is 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid.

What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?

The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid is CC(c1ccccc1)N1NC=C2C=C(C(=O)O)C=CC21.CC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.Cc1ccc(Cn2cc3cc(C(=O)O)ccc3n2)cc1.O=C(O)C1=CC2=CNN(Cc3ccc(C(F)(F)F)cc3)C2C=C1.O=C(O)C1=CC2=CNN(Cc3cccc(C(F)(F)F)c3)C2C=C1.O=C(O)C1=CC2C(C=C1)C=NN2Cc1ccc(F)cc1.O=C(O)c1ccc2c(c[nH][n+]2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2cn(Cc3ccc(F)cc3)nc2c1.O=C(O)c1ccc2nn(CCc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3cccc(C(F)(F)F)c3)cc2c1.O=C(O)c1cnc2c(ccn2Cc2ccc(F)cc2)c1.

What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?

The InChIKey is NQVVWAWFYBZCFX-UHFFFAOYSA-O. The full InChI is InChI=1S/2C16H13F3N2O2.C16H11F3N2O2.2C16H13FN2O2.2C16H14N2O2.C16H16N2O2.C15H13FN2O2.3C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)8-21-9-12-7-11(15(22)23)4-5-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-10-13-9-12(16(20)21)3-6-15(13)18-19;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11-2-4-12(5-3-11)9-18-10-14-8-13(16(19)20)6-7-15(14)17-18;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-5-1-10(2-6-13)9-18-14-7-11(15(19)20)3-4-12(14)8-17-18;16-13-5-1-10(2-6-13)8-18-9-12-4-3-11(15(19)20)7-14(12)17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18;16-13-3-1-10(2-4-13)9-18-6-5-11-7-12(15(19)20)8-17-14(11)18/h2*1-8,14,20H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);2*1-6,9-10H,7-8H2,(H,20,21);2-8,10H,9H2,1H3,(H,19,20);2-11H,1H3,(H,19,20);2-11,15,17H,1H3,(H,19,20);1-8,12,14H,9H2,(H,19,20);2*1-7,9H,8H2,(H,19,20);1-8H,9H2,(H,19,20)/p+1.

What are the key properties of 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid?

2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid has a molecular weight of 3418.41 g/mol, XLogP of 34.97, 38 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid is sourced from PubChem (CID 160556834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).