3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline

C13H14F3N3O — CID 116800544

IUPAC3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
SMILESCC(C)n1cc(Oc2cc(N)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H14F3N3O/c1-8(2)19-7-12(6-18-19)20-11-4-9(13(14,15)16)3-10(17)5-11/h3-8H,17H2,1-2H3
InChIKeyDGORQRPOLNLZQI-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.86
Rot. Bonds3

About 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline

3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline (PubChem CID 116800544) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
PubChem CID116800544
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
SMILESCC(C)n1cc(Oc2cc(N)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H14F3N3O/c1-8(2)19-7-12(6-18-19)20-11-4-9(13(14,15)16)3-10(17)5-11/h3-8H,17H2,1-2H3
InChIKeyDGORQRPOLNLZQI-UHFFFAOYSA-N
XLogP3.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.86
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

6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
CID 102720115
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
3-(3-methylbutan-2-yloxy)-5-(trifluoromethyl)aniline
CID 82995171
5-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801286
[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776489
2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533565
2,4-difluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800554
4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800610
1-propan-2-ylpyrazol-4-amine;dihydrochloride
CID 122360212
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
CID 82990854
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline (CID 116800544) is 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline is CC(C)n1cc(Oc2cc(N)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline?
The InChIKey is DGORQRPOLNLZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8(2)19-7-12(6-18-19)20-11-4-9(13(14,15)16)3-10(17)5-11/h3-8H,17H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline?
3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline has a molecular weight of 285.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116800544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).