2-(2-ethylpyrazol-3-yl)aniline

C11H13N3 — CID 63976936

IUPAC2-(2-ethylpyrazol-3-yl)aniline
SMILESCCn1nccc1-c1ccccc1N
InChIInChI=1S/C11H13N3/c1-2-14-11(7-8-13-14)9-5-3-4-6-10(9)12/h3-8H,2,12H2,1H3
InChIKeyGIGFDTOLHSXUOV-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.15
Rot. Bonds2

About 2-(2-ethylpyrazol-3-yl)aniline

2-(2-ethylpyrazol-3-yl)aniline (PubChem CID 63976936) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)aniline.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)aniline
PubChem CID63976936
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(2-ethylpyrazol-3-yl)aniline
SMILESCCn1nccc1-c1ccccc1N
InChIInChI=1S/C11H13N3/c1-2-14-11(7-8-13-14)9-5-3-4-6-10(9)12/h3-8H,2,12H2,1H3
InChIKeyGIGFDTOLHSXUOV-UHFFFAOYSA-N
XLogP2.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)aniline?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)aniline (CID 63976936) is 2-(2-ethylpyrazol-3-yl)aniline.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)aniline?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)aniline is CCn1nccc1-c1ccccc1N.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)aniline?
The InChIKey is GIGFDTOLHSXUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-14-11(7-8-13-14)9-5-3-4-6-10(9)12/h3-8H,2,12H2,1H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)aniline?
2-(2-ethylpyrazol-3-yl)aniline has a molecular weight of 187.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)aniline is sourced from PubChem (CID 63976936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).