2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline

C12H15N3O2 — CID 116792382

IUPAC2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
SMILESCCOc1cccc(Oc2cnn(C)c2)c1N
InChIInChI=1S/C12H15N3O2/c1-3-16-10-5-4-6-11(12(10)13)17-9-7-14-15(2)8-9/h4-8H,3,13H2,1-2H3
InChIKeyAMEYIZLWKRQOQL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.19
Rot. Bonds4

About 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline

2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline (PubChem CID 116792382) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
PubChem CID116792382
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
SMILESCCOc1cccc(Oc2cnn(C)c2)c1N
InChIInChI=1S/C12H15N3O2/c1-3-16-10-5-4-6-11(12(10)13)17-9-7-14-15(2)8-9/h4-8H,3,13H2,1-2H3
InChIKeyAMEYIZLWKRQOQL-UHFFFAOYSA-N
XLogP2.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-(4-fluorophenoxy)aniline
CID 113392806
N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
CID 116792890
6-(1-methylpyrazol-4-yl)oxypyridin-2-amine
CID 116794360
2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116792751
1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116792885
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
2-propoxy-6-pyridin-3-yloxyaniline
CID 113393434
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417
3-(2-amino-3-ethoxyphenoxy)-5-methoxybenzonitrile
CID 103566387
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730
[6-(1-methylpyrazol-4-yl)oxy-2-pyridinyl]hydrazine
CID 116794539

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline?
The IUPAC name of 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline (CID 116792382) is 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline is CCOc1cccc(Oc2cnn(C)c2)c1N.
What is the InChIKey of 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline?
The InChIKey is AMEYIZLWKRQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-16-10-5-4-6-11(12(10)13)17-9-7-14-15(2)8-9/h4-8H,3,13H2,1-2H3.
What are the key properties of 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline?
2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline has a molecular weight of 233.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 116792382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).