5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline

C11H11BrFN3O — CID 116800312

IUPAC5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
SMILESCCn1cc(Oc2cc(F)c(Br)cc2N)cn1
InChIInChI=1S/C11H11BrFN3O/c1-2-16-6-7(5-15-16)17-11-4-9(13)8(12)3-10(11)14/h3-6H,2,14H2,1H3
InChIKeyYPNXVHZTEXVUTR-UHFFFAOYSA-N
MW300.13 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline

5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline (PubChem CID 116800312) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
PubChem CID116800312
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
SMILESCCn1cc(Oc2cc(F)c(Br)cc2N)cn1
InChIInChI=1S/C11H11BrFN3O/c1-2-16-6-7(5-15-16)17-11-4-9(13)8(12)3-10(11)14/h3-6H,2,14H2,1H3
InChIKeyYPNXVHZTEXVUTR-UHFFFAOYSA-N
XLogP3.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 53.18
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
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
CID 103591089
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 116800289
3-bromo-4-(1-ethylpyrazol-4-yl)oxybenzonitrile
CID 116801191
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine
CID 116800254
4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792433
4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
CID 106748571
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline (CID 116800312) is 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline is CCn1cc(Oc2cc(F)c(Br)cc2N)cn1.
What is the InChIKey of 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline?
The InChIKey is YPNXVHZTEXVUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-2-16-6-7(5-15-16)17-11-4-9(13)8(12)3-10(11)14/h3-6H,2,14H2,1H3.
What are the key properties of 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline?
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline has a molecular weight of 300.13 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline is sourced from PubChem (CID 116800312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).