2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide

C87H63BrF12N14O5 — CID 158843813

About 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide

2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 158843813) has the molecular formula C87H63BrF12N14O5 and a molecular weight of 1692.43 g/mol. Its IUPAC name is 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide
• PubChem CID: 158843813
• Molecular Formula: C87H63BrF12N14O5
• Molecular Weight: 1692.43 g/mol
• Exact Mass: 1690.41
• IUPAC Name: 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide
• SMILES: Cc1[nH]ncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Br.[C-]#[N+]c1ccccc1C(=O)Cc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
• InChI: InChI=1S/C24H16F3N3O.C22H15BrF3N3O.C21H16F3N3O2.C20H16F3N5O/c1-28-20-8-4-2-7-19(20)23(31)14-21-18-6-3-5-9-22(18)30(29-21)15-16-10-12-17(13-11-16)24(25,26)27;23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-16(10-24-26-12)19(29)25-18-15-4-2-3-5-17(15)28(27-18)11-13-6-8-14(9-7-13)20(21,22)23/h2-13H,14-15H2;1-12H,13H2,(H,27,28,30);2-11H,12H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,24,26)(H,25,27,29)
• InChIKey: IYOPPRHMTCWXHV-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 221.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1692.43
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide (CID 158843813) is 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Br.[C-]#[N+]c1ccccc1C(=O)Cc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.

What is the InChIKey of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide?

The InChIKey is IYOPPRHMTCWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O.C22H15BrF3N3O.C21H16F3N3O2.C20H16F3N5O/c1-28-20-8-4-2-7-19(20)23(31)14-21-18-6-3-5-9-22(18)30(29-21)15-16-10-12-17(13-11-16)24(25,26)27;23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-16(10-24-26-12)19(29)25-18-15-4-2-3-5-17(15)28(27-18)11-13-6-8-14(9-7-13)20(21,22)23/h2-13H,14-15H2;1-12H,13H2,(H,27,28,30);2-11H,12H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,24,26)(H,25,27,29).

What are the key properties of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide?

2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 1692.43 g/mol, XLogP of 21.84, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158843813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).