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'}

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 1100804
N-(2,4-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 815379
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 1113740
(2,6-Dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
CID 164822438
5-Trifluoromethyl-4-chloro-3-(3'-methoxy-4'-nitrophenoxy)-1-methylpyrazole
CID 15017285
4-Chloro-3-(3-methoxy-4-nitrophenoxy)-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 15017289
3-(3-Methoxy-4-nitrophenoxy)-1,4-dimethyl-5-(trifluoromethyl)pyrazole
CID 15735342
5-Difluoromethyl-4-methyl-3-(3'-methoxy-4'-nitrophenoxy)-1-methylpyrazole
CID 15735343
N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide
CID 19067686
5-(5-Methoxy-2-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole
CID 19067688
4-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-phenylenediamine
CID 19775932
4-Chloro-3-(3-methoxy-4-nitrophenoxy)-5-methyl-1-(trifluoromethyl)pyrazole
CID 19786317

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).