2-pyrazol-1-ylethanamine

C5H9N3 — CID 1133022

IUPAC2-pyrazol-1-ylethanamine
SMILESNCCn1cccn1
InChIInChI=1S/C5H9N3/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5-6H2
InChIKeyUIWDESVQLUNCRV-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.16
Rot. Bonds2

About 2-pyrazol-1-ylethanamine

2-pyrazol-1-ylethanamine (PubChem CID 1133022) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-pyrazol-1-ylethanamine.

Molecular Properties

Compound Name2-pyrazol-1-ylethanamine
PubChem CID1133022
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-pyrazol-1-ylethanamine
SMILESNCCn1cccn1
InChIInChI=1S/C5H9N3/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5-6H2
InChIKeyUIWDESVQLUNCRV-UHFFFAOYSA-N
XLogP-0.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethanamine?
The IUPAC name of 2-pyrazol-1-ylethanamine (CID 1133022) is 2-pyrazol-1-ylethanamine.
What is the SMILES notation for 2-pyrazol-1-ylethanamine?
The canonical SMILES for 2-pyrazol-1-ylethanamine is NCCn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylethanamine?
The InChIKey is UIWDESVQLUNCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5-6H2.
What are the key properties of 2-pyrazol-1-ylethanamine?
2-pyrazol-1-ylethanamine has a molecular weight of 111.15 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethanamine is sourced from PubChem (CID 1133022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).