2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline

C12H15N3O — CID 102999319

IUPAC2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
SMILESCn1nccc1CCOc1ccccc1N
InChIInChI=1S/C12H15N3O/c1-15-10(6-8-14-15)7-9-16-12-5-3-2-4-11(12)13/h2-6,8H,7,9,13H2,1H3
InChIKeyZFMAIDUZOFZBEV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline

2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline (PubChem CID 102999319) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
PubChem CID102999319
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
SMILESCn1nccc1CCOc1ccccc1N
InChIInChI=1S/C12H15N3O/c1-15-10(6-8-14-15)7-9-16-12-5-3-2-4-11(12)13/h2-6,8H,7,9,13H2,1H3
InChIKeyZFMAIDUZOFZBEV-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]-1-methylpyrazole
CID 103012848
2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
CID 102999385
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999751
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999753
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897
2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate
CID 103013683
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
CID 103016138
(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999823
[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine
CID 102999840

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline (CID 102999319) is 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline is Cn1nccc1CCOc1ccccc1N.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline?
The InChIKey is ZFMAIDUZOFZBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-10(6-8-14-15)7-9-16-12-5-3-2-4-11(12)13/h2-6,8H,7,9,13H2,1H3.
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline?
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline is sourced from PubChem (CID 102999319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).