5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine

C14H10F3N3O — CID 166073907

IUPAC5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine
SMILESNc1cc(Oc2ccc(C(F)(F)F)cc2)cc2cn[nH]c12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)9-1-3-10(4-2-9)21-11-5-8-7-19-20-13(8)12(18)6-11/h1-7H,18H2,(H,19,20)
InChIKeyBNOJHILFTVPQAJ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.96
Rot. Bonds2

About 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine

5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine (PubChem CID 166073907) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine
PubChem CID166073907
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine
SMILESNc1cc(Oc2ccc(C(F)(F)F)cc2)cc2cn[nH]c12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)9-1-3-10(4-2-9)21-11-5-8-7-19-20-13(8)12(18)6-11/h1-7H,18H2,(H,19,20)
InChIKeyBNOJHILFTVPQAJ-UHFFFAOYSA-N
XLogP3.96
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine?
The IUPAC name of 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine (CID 166073907) is 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine is Nc1cc(Oc2ccc(C(F)(F)F)cc2)cc2cn[nH]c12.
What is the InChIKey of 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine?
The InChIKey is BNOJHILFTVPQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)9-1-3-10(4-2-9)21-11-5-8-7-19-20-13(8)12(18)6-11/h1-7H,18H2,(H,19,20).
What are the key properties of 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine?
5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine has a molecular weight of 293.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine is sourced from PubChem (CID 166073907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).