2-pyrazol-1-ylaniline

C9H9N3 — CID 2779710

IUPAC2-pyrazol-1-ylaniline
SMILESNc1ccccc1-n1cccn1
InChIInChI=1S/C9H9N3/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,10H2
InChIKeyUIYKQBXRFZCXFX-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.45
Rot. Bonds1

About 2-pyrazol-1-ylaniline

2-pyrazol-1-ylaniline (PubChem CID 2779710) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name2-pyrazol-1-ylaniline
PubChem CID2779710
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-pyrazol-1-ylaniline
SMILESNc1ccccc1-n1cccn1
InChIInChI=1S/C9H9N3/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,10H2
InChIKeyUIYKQBXRFZCXFX-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.45
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-pyrazol-1-ylaniline?
The IUPAC name of 2-pyrazol-1-ylaniline (CID 2779710) is 2-pyrazol-1-ylaniline.
What is the SMILES notation for 2-pyrazol-1-ylaniline?
The canonical SMILES for 2-pyrazol-1-ylaniline is Nc1ccccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylaniline?
The InChIKey is UIYKQBXRFZCXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,10H2.
What are the key properties of 2-pyrazol-1-ylaniline?
2-pyrazol-1-ylaniline has a molecular weight of 159.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylaniline is sourced from PubChem (CID 2779710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).