4-(1-ethylpyrazol-4-yl)oxyaniline

C11H13N3O — CID 116800266

IUPAC4-(1-ethylpyrazol-4-yl)oxyaniline
SMILESCCn1cc(Oc2ccc(N)cc2)cn1
InChIInChI=1S/C11H13N3O/c1-2-14-8-11(7-13-14)15-10-5-3-9(12)4-6-10/h3-8H,2,12H2,1H3
InChIKeyRXVQYIOBGXGSOQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.28
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)oxyaniline

4-(1-ethylpyrazol-4-yl)oxyaniline (PubChem CID 116800266) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxyaniline
PubChem CID116800266
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(1-ethylpyrazol-4-yl)oxyaniline
SMILESCCn1cc(Oc2ccc(N)cc2)cn1
InChIInChI=1S/C11H13N3O/c1-2-14-8-11(7-13-14)15-10-5-3-9(12)4-6-10/h3-8H,2,12H2,1H3
InChIKeyRXVQYIOBGXGSOQ-UHFFFAOYSA-N
XLogP2.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801665
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
CID 116800326
[4-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]hydrazine
CID 116806789
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557
1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine
CID 116801689
4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
CID 116801295

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxyaniline?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxyaniline (CID 116800266) is 4-(1-ethylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxyaniline is CCn1cc(Oc2ccc(N)cc2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxyaniline?
The InChIKey is RXVQYIOBGXGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-14-8-11(7-13-14)15-10-5-3-9(12)4-6-10/h3-8H,2,12H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxyaniline?
4-(1-ethylpyrazol-4-yl)oxyaniline has a molecular weight of 203.25 g/mol, XLogP of 2.28, 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)oxyaniline is sourced from PubChem (CID 116800266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).