3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline

C12H12F3N3O — CID 116800265

IUPAC3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
SMILESCCn1cc(Oc2cc(N)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H12F3N3O/c1-2-18-7-11(6-17-18)19-10-4-8(12(13,14)15)3-9(16)5-10/h3-7H,2,16H2,1H3
InChIKeyHGNYZOIXBYKHOM-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.30
Rot. Bonds3

About 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline

3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline (PubChem CID 116800265) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
PubChem CID116800265
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
SMILESCCn1cc(Oc2cc(N)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H12F3N3O/c1-2-18-7-11(6-17-18)19-10-4-8(12(13,14)15)3-9(16)5-10/h3-7H,2,16H2,1H3
InChIKeyHGNYZOIXBYKHOM-UHFFFAOYSA-N
XLogP3.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800544
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
CID 82990854
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
CID 116800410
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
CID 116801965
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801192
3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995318
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
CID 103591089
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline (CID 116800265) is 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline is CCn1cc(Oc2cc(N)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline?
The InChIKey is HGNYZOIXBYKHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-18-7-11(6-17-18)19-10-4-8(12(13,14)15)3-9(16)5-10/h3-7H,2,16H2,1H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline?
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline has a molecular weight of 271.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116800265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).