2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline

C13H14F3N3O — CID 102999385

IUPAC2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
SMILESCn1nccc1CCOc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H14F3N3O/c1-19-10(4-6-18-19)5-7-20-12-3-2-9(8-11(12)17)13(14,15)16/h2-4,6,8H,5,7,17H2,1H3
InChIKeyZVTZOHIRTVQDCQ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline

2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline (PubChem CID 102999385) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
PubChem CID102999385
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
SMILESCn1nccc1CCOc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H14F3N3O/c1-19-10(4-6-18-19)5-7-20-12-3-2-9(8-11(12)17)13(14,15)16/h2-4,6,8H,5,7,17H2,1H3
InChIKeyZVTZOHIRTVQDCQ-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.64
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

2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
1-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 103004473
2-(2-pyrazol-1-ylethoxy)-5-(trifluoromethyl)aniline
CID 82008495
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
potassium trifluoro-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boranuide
CID 103003907
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one
CID 82008405
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline (CID 102999385) is 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline is Cn1nccc1CCOc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline?
The InChIKey is ZVTZOHIRTVQDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-10(4-6-18-19)5-7-20-12-3-2-9(8-11(12)17)13(14,15)16/h2-4,6,8H,5,7,17H2,1H3.
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline?
2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline has a molecular weight of 285.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 102999385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).