4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline

C11H12FN3O — CID 116800238

IUPAC4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
SMILESCCn1cc(Oc2ccc(N)cc2F)cn1
InChIInChI=1S/C11H12FN3O/c1-2-15-7-9(6-14-15)16-11-4-3-8(13)5-10(11)12/h3-7H,2,13H2,1H3
InChIKeyGUDJLQCRIJONOG-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.42
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline

4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline (PubChem CID 116800238) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
PubChem CID116800238
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
SMILESCCn1cc(Oc2ccc(N)cc2F)cn1
InChIInChI=1S/C11H12FN3O/c1-2-15-7-9(6-14-15)16-11-4-3-8(13)5-10(11)12/h3-7H,2,13H2,1H3
InChIKeyGUDJLQCRIJONOG-UHFFFAOYSA-N
XLogP2.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.42
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

3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
CID 103591089
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
CID 116800326
1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
CID 116804168
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
3-bromo-4-(1-ethylpyrazol-4-yl)oxybenzonitrile
CID 116801191
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline (CID 116800238) is 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline is CCn1cc(Oc2ccc(N)cc2F)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline?
The InChIKey is GUDJLQCRIJONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-15-7-9(6-14-15)16-11-4-3-8(13)5-10(11)12/h3-7H,2,13H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline?
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline has a molecular weight of 221.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline is sourced from PubChem (CID 116800238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).