3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole

C67H54F4N20O2 — CID 158318941

IUPAC3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole
SMILESCCOc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.CCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.FC(F)(F)Oc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C17H14FN5.C17H15N5O.C17H15N5.C16H10F3N5O/c1-2-15-19-17(23-21-15)11-5-8-14-13(9-11)16(22-20-14)10-3-6-12(18)7-4-10;1-2-23-13-6-3-11(4-7-13)16-14-9-12(17-18-10-19-22-17)5-8-15(14)20-21-16;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;17-16(18,19)25-11-3-1-2-9(6-11)14-12-7-10(15-20-8-21-24-15)4-5-13(12)22-23-14/h3-9H,2H2,1H3,(H,20,22)(H,19,21,23);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);1-8H,(H,22,23)(H,20,21,24)
InChIKeyGOPKJGVECZTAQX-UHFFFAOYSA-N
MW1247.30 g/mol
LogP14.62
Rot. Bonds13

About 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole

3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole (PubChem CID 158318941) has the molecular formula C67H54F4N20O2 and a molecular weight of 1247.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole
PubChem CID158318941
Molecular FormulaC67H54F4N20O2
Molecular Weight1247.30 g/mol
Exact Mass1246.47
IUPAC Name3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole
SMILESCCOc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.CCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.FC(F)(F)Oc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C17H14FN5.C17H15N5O.C17H15N5.C16H10F3N5O/c1-2-15-19-17(23-21-15)11-5-8-14-13(9-11)16(22-20-14)10-3-6-12(18)7-4-10;1-2-23-13-6-3-11(4-7-13)16-14-9-12(17-18-10-19-22-17)5-8-15(14)20-21-16;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;17-16(18,19)25-11-3-1-2-9(6-11)14-12-7-10(15-20-8-21-24-15)4-5-13(12)22-23-14/h3-9H,2H2,1H3,(H,20,22)(H,19,21,23);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);1-8H,(H,22,23)(H,20,21,24)
InChIKeyGOPKJGVECZTAQX-UHFFFAOYSA-N
XLogP14.62
TPSA299.46 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001247.30
LogP ≤ 514.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole with MolForge

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Related Compounds

5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
CID 21092522
N,N-dimethyl-2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine
CID 22479784
5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
CID 142957970
3-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 21092512
5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole
CID 175871586
5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole
CID 174958066
3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479813
3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 21092504
3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 20789037
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828
3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 20789046

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole?
The IUPAC name of 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole (CID 158318941) is 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole is CCOc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.CCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.FC(F)(F)Oc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole?
The InChIKey is GOPKJGVECZTAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5.C17H15N5O.C17H15N5.C16H10F3N5O/c1-2-15-19-17(23-21-15)11-5-8-14-13(9-11)16(22-20-14)10-3-6-12(18)7-4-10;1-2-23-13-6-3-11(4-7-13)16-14-9-12(17-18-10-19-22-17)5-8-15(14)20-21-16;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;17-16(18,19)25-11-3-1-2-9(6-11)14-12-7-10(15-20-8-21-24-15)4-5-13(12)22-23-14/h3-9H,2H2,1H3,(H,20,22)(H,19,21,23);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);3-10H,2H2,1H3,(H,20,21)(H,18,19,22);1-8H,(H,22,23)(H,20,21,24).
What are the key properties of 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole?
3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole has a molecular weight of 1247.30 g/mol, XLogP of 14.62, 13 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole is sourced from PubChem (CID 158318941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).