4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline

C12H12F3N3O2 — CID 19067685

IUPAC4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
SMILESCOc1ccc(N)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C12H12F3N3O2/c1-18-11(6-10(17-18)12(13,14)15)20-9-5-7(19-2)3-4-8(9)16/h3-6H,16H2,1-2H3
InChIKeyYMFDOAHICWEYDU-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.82
Rot. Bonds3

About 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline

4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline (PubChem CID 19067685) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline.

Molecular Properties

Compound Name4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
PubChem CID19067685
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
SMILESCOc1ccc(N)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C12H12F3N3O2/c1-18-11(6-10(17-18)12(13,14)15)20-9-5-7(19-2)3-4-8(9)16/h3-6H,16H2,1-2H3
InChIKeyYMFDOAHICWEYDU-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline?
The IUPAC name of 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline (CID 19067685) is 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline.
What is the SMILES notation for 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline?
The canonical SMILES for 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline is COc1ccc(N)c(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline?
The InChIKey is YMFDOAHICWEYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-18-11(6-10(17-18)12(13,14)15)20-9-5-7(19-2)3-4-8(9)16/h3-6H,16H2,1-2H3.
What are the key properties of 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline?
4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline has a molecular weight of 287.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline is sourced from PubChem (CID 19067685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).