2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline

C14H16F3N3O — CID 19627049

IUPAC2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline
SMILESCCn1ncc(COc2ccc(C(F)(F)F)cc2N)c1C
InChIInChI=1S/C14H16F3N3O/c1-3-20-9(2)10(7-19-20)8-21-13-5-4-11(6-12(13)18)14(15,16)17/h4-7H,3,8,18H2,1-2H3
InChIKeyMVXMZOGAKIDUPO-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.39
Rot. Bonds4

About 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline

2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline (PubChem CID 19627049) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline
PubChem CID19627049
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline
SMILESCCn1ncc(COc2ccc(C(F)(F)F)cc2N)c1C
InChIInChI=1S/C14H16F3N3O/c1-3-20-9(2)10(7-19-20)8-21-13-5-4-11(6-12(13)18)14(15,16)17/h4-7H,3,8,18H2,1-2H3
InChIKeyMVXMZOGAKIDUPO-UHFFFAOYSA-N
XLogP3.39
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.39
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-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
CID 104795950
2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
CID 82007498
2-(2-pyrazol-1-ylethoxy)-5-(trifluoromethyl)aniline
CID 82008495
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
CID 102999385
2-(2-methylpentoxy)-5-(trifluoromethyl)aniline
CID 45075240
2-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(trifluoromethyl)aniline
CID 150636929
2-[2-(2-methylpropoxy)ethoxy]-5-(trifluoromethyl)aniline
CID 106446774
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
2-[2-(3-methylbutoxy)ethoxy]-5-(trifluoromethyl)aniline
CID 82008322

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline (CID 19627049) is 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline is CCn1ncc(COc2ccc(C(F)(F)F)cc2N)c1C.
What is the InChIKey of 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline?
The InChIKey is MVXMZOGAKIDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-3-20-9(2)10(7-19-20)8-21-13-5-4-11(6-12(13)18)14(15,16)17/h4-7H,3,8,18H2,1-2H3.
What are the key properties of 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline?
2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline has a molecular weight of 299.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 19627049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).