3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole

C66H51ClF3N21O2 — CID 162029954

IUPAC3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole
SMILESCCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cc1nc(-c2ccc3[nH]nc(-c4ccc(Cl)cc4)c3c2)n[nH]1.FC(F)(F)Oc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C17H14N6O.C17H15N5.C16H12ClN5.C16H10F3N5O/c1-18-17(24)12-4-2-3-10(7-12)15-13-8-11(16-19-9-20-23-16)5-6-14(13)21-22-15;1-2-11-4-3-5-12(8-11)16-14-9-13(17-18-10-19-22-17)6-7-15(14)20-21-16;1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10;17-16(18,19)25-11-4-1-9(2-5-11)14-12-7-10(15-20-8-21-24-15)3-6-13(12)22-23-14/h2-9H,1H3,(H,18,24)(H,21,22)(H,19,20,23);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);2-8H,1H3,(H,20,21)(H,18,19,22);1-8H,(H,22,23)(H,20,21,24)
InChIKeyYVWPSUDYYBRBQJ-UHFFFAOYSA-N
MW1262.73 g/mol
LogP13.84
Rot. Bonds11

About 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole

3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole (PubChem CID 162029954) has the molecular formula C66H51ClF3N21O2 and a molecular weight of 1262.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole
PubChem CID162029954
Molecular FormulaC66H51ClF3N21O2
Molecular Weight1262.73 g/mol
Exact Mass1261.42
IUPAC Name3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole
SMILESCCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cc1nc(-c2ccc3[nH]nc(-c4ccc(Cl)cc4)c3c2)n[nH]1.FC(F)(F)Oc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C17H14N6O.C17H15N5.C16H12ClN5.C16H10F3N5O/c1-18-17(24)12-4-2-3-10(7-12)15-13-8-11(16-19-9-20-23-16)5-6-14(13)21-22-15;1-2-11-4-3-5-12(8-11)16-14-9-13(17-18-10-19-22-17)6-7-15(14)20-21-16;1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10;17-16(18,19)25-11-4-1-9(2-5-11)14-12-7-10(15-20-8-21-24-15)3-6-13(12)22-23-14/h2-9H,1H3,(H,18,24)(H,21,22)(H,19,20,23);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);2-8H,1H3,(H,20,21)(H,18,19,22);1-8H,(H,22,23)(H,20,21,24)
InChIKeyYVWPSUDYYBRBQJ-UHFFFAOYSA-N
XLogP13.84
TPSA319.33 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms93
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001262.73
LogP ≤ 513.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole (CID 162029954) is 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole is CCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cc1nc(-c2ccc3[nH]nc(-c4ccc(Cl)cc4)c3c2)n[nH]1.FC(F)(F)Oc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole?
The InChIKey is YVWPSUDYYBRBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O.C17H15N5.C16H12ClN5.C16H10F3N5O/c1-18-17(24)12-4-2-3-10(7-12)15-13-8-11(16-19-9-20-23-16)5-6-14(13)21-22-15;1-2-11-4-3-5-12(8-11)16-14-9-13(17-18-10-19-22-17)6-7-15(14)20-21-16;1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10;17-16(18,19)25-11-4-1-9(2-5-11)14-12-7-10(15-20-8-21-24-15)3-6-13(12)22-23-14/h2-9H,1H3,(H,18,24)(H,21,22)(H,19,20,23);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);2-8H,1H3,(H,20,21)(H,18,19,22);1-8H,(H,22,23)(H,20,21,24).
What are the key properties of 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole?
3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole has a molecular weight of 1262.73 g/mol, XLogP of 13.84, 11 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1H-indazole is sourced from PubChem (CID 162029954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).