2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline

C12H14FN3O — CID 103591089

IUPAC2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
SMILESCCn1cc(Oc2cc(C)c(F)cc2N)cn1
InChIInChI=1S/C12H14FN3O/c1-3-16-7-9(6-15-16)17-12-4-8(2)10(13)5-11(12)14/h4-7H,3,14H2,1-2H3
InChIKeyAWEVXFNGTPVCEY-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.73
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline

2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline (PubChem CID 103591089) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
PubChem CID103591089
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
SMILESCCn1cc(Oc2cc(C)c(F)cc2N)cn1
InChIInChI=1S/C12H14FN3O/c1-3-16-7-9(6-15-16)17-12-4-8(2)10(13)5-11(12)14/h4-7H,3,14H2,1-2H3
InChIKeyAWEVXFNGTPVCEY-UHFFFAOYSA-N
XLogP2.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.73
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

5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine
CID 116800254
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 116800289
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557
1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
CID 116804168
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline (CID 103591089) is 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline is CCn1cc(Oc2cc(C)c(F)cc2N)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline?
The InChIKey is AWEVXFNGTPVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-16-7-9(6-15-16)17-12-4-8(2)10(13)5-11(12)14/h4-7H,3,14H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline?
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline has a molecular weight of 235.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline is sourced from PubChem (CID 103591089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).