3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate

C87H85F3N10O4 — CID 164980420

About 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate

3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate (PubChem CID 164980420) has the molecular formula C87H85F3N10O4 and a molecular weight of 1391.70 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate.

Molecular Properties

• Compound Name: 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate
• PubChem CID: 164980420
• Molecular Formula: C87H85F3N10O4
• Molecular Weight: 1391.70 g/mol
• Exact Mass: 1390.67
• IUPAC Name: 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate
• SMILES: CC(=O)c1cccc(-c2n[nH]c3ccc(C)cc23)c1.CCCCCCCCC(=O)c1ccc(-c2n[nH]c3ccc(C)cc23)cc1.CCc1ccc(-c2n[nH]c3ccc(C)cc23)cc1.CCc1cccc(-c2n[nH]c3ccc(C)cc23)c1.COC(=O)c1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1
• InChI: InChI=1S/C23H28N2O.C16H11F3N2O2.C16H14N2O.2C16H16N2/c1-3-4-5-6-7-8-9-22(26)18-11-13-19(14-12-18)23-20-16-17(2)10-15-21(20)24-25-23;1-23-15(22)10-4-2-9(3-5-10)14-12-7-6-11(16(17,18)19)8-13(12)20-21-14;1-10-6-7-15-14(8-10)16(18-17-15)13-5-3-4-12(9-13)11(2)19;1-3-12-5-7-13(8-6-12)16-14-10-11(2)4-9-15(14)17-18-16;1-3-12-5-4-6-13(10-12)16-14-9-11(2)7-8-15(14)17-18-16/h10-16H,3-9H2,1-2H3,(H,24,25);2-8H,1H3,(H,20,21);3-9H,1-2H3,(H,17,18);2*4-10H,3H2,1-2H3,(H,17,18)
• InChIKey: FKBDXQFGFISKMT-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 203.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1391.70
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate?

The IUPAC name of 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate (CID 164980420) is 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate.

What is the SMILES notation for 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate?

The canonical SMILES for 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate is CC(=O)c1cccc(-c2n[nH]c3ccc(C)cc23)c1.CCCCCCCCC(=O)c1ccc(-c2n[nH]c3ccc(C)cc23)cc1.CCc1ccc(-c2n[nH]c3ccc(C)cc23)cc1.CCc1cccc(-c2n[nH]c3ccc(C)cc23)c1.COC(=O)c1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1.

What is the InChIKey of 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate?

The InChIKey is FKBDXQFGFISKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.C16H11F3N2O2.C16H14N2O.2C16H16N2/c1-3-4-5-6-7-8-9-22(26)18-11-13-19(14-12-18)23-20-16-17(2)10-15-21(20)24-25-23;1-23-15(22)10-4-2-9(3-5-10)14-12-7-6-11(16(17,18)19)8-13(12)20-21-14;1-10-6-7-15-14(8-10)16(18-17-15)13-5-3-4-12(9-13)11(2)19;1-3-12-5-7-13(8-6-12)16-14-10-11(2)4-9-15(14)17-18-16;1-3-12-5-4-6-13(10-12)16-14-9-11(2)7-8-15(14)17-18-16/h10-16H,3-9H2,1-2H3,(H,24,25);2-8H,1H3,(H,20,21);3-9H,1-2H3,(H,17,18);2*4-10H,3H2,1-2H3,(H,17,18).

What are the key properties of 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate?

3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate has a molecular weight of 1391.70 g/mol, XLogP of 22.45, 17 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate is sourced from PubChem (CID 164980420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).