3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole

C21H14FN5 — CID 20789047

IUPAC3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(-c5ccccc5)n4)cc23)cc1
InChIInChI=1S/C21H14FN5/c22-16-9-6-13(7-10-16)19-17-12-15(8-11-18(17)24-25-19)21-23-20(26-27-21)14-4-2-1-3-5-14/h1-12H,(H,24,25)(H,23,26,27)
InChIKeyJAXHOAMUEIQIHI-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.82
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole

3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 20789047) has the molecular formula C21H14FN5 and a molecular weight of 355.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID20789047
Molecular FormulaC21H14FN5
Molecular Weight355.38 g/mol
Exact Mass355.12
IUPAC Name3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(-c5ccccc5)n4)cc23)cc1
InChIInChI=1S/C21H14FN5/c22-16-9-6-13(7-10-16)19-17-12-15(8-11-18(17)24-25-19)21-23-20(26-27-21)14-4-2-1-3-5-14/h1-12H,(H,24,25)(H,23,26,27)
InChIKeyJAXHOAMUEIQIHI-UHFFFAOYSA-N
XLogP4.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole (CID 20789047) is 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole is Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(-c5ccccc5)n4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is JAXHOAMUEIQIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5/c22-16-9-6-13(7-10-16)19-17-12-15(8-11-18(17)24-25-19)21-23-20(26-27-21)14-4-2-1-3-5-14/h1-12H,(H,24,25)(H,23,26,27).
What are the key properties of 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 355.38 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 20789047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).