2-[(2-ethylpyrazol-3-yl)methoxy]aniline

C12H15N3O — CID 50896804

IUPAC2-[(2-ethylpyrazol-3-yl)methoxy]aniline
SMILESCCn1nccc1COc1ccccc1N
InChIInChI=1S/C12H15N3O/c1-2-15-10(7-8-14-15)9-16-12-6-4-3-5-11(12)13/h3-8H,2,9,13H2,1H3
InChIKeyMAONSNVIEUOBFK-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2-ethylpyrazol-3-yl)methoxy]aniline

2-[(2-ethylpyrazol-3-yl)methoxy]aniline (PubChem CID 50896804) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)methoxy]aniline
PubChem CID50896804
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[(2-ethylpyrazol-3-yl)methoxy]aniline
SMILESCCn1nccc1COc1ccccc1N
InChIInChI=1S/C12H15N3O/c1-2-15-10(7-8-14-15)9-16-12-6-4-3-5-11(12)13/h3-8H,2,9,13H2,1H3
InChIKeyMAONSNVIEUOBFK-UHFFFAOYSA-N
XLogP2.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)methoxy]aniline?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)methoxy]aniline (CID 50896804) is 2-[(2-ethylpyrazol-3-yl)methoxy]aniline.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)methoxy]aniline?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)methoxy]aniline is CCn1nccc1COc1ccccc1N.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)methoxy]aniline?
The InChIKey is MAONSNVIEUOBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-15-10(7-8-14-15)9-16-12-6-4-3-5-11(12)13/h3-8H,2,9,13H2,1H3.
What are the key properties of 2-[(2-ethylpyrazol-3-yl)methoxy]aniline?
2-[(2-ethylpyrazol-3-yl)methoxy]aniline has a molecular weight of 217.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)methoxy]aniline is sourced from PubChem (CID 50896804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).