2-(1H-pyrazol-5-yl)ethanamine chloride

C5H9ClN3- — CID 53313225

IUPAC2-(1H-pyrazol-5-yl)ethanamine chloride
SMILESNCCc1ccn[nH]1.[Cl-]
InChIInChI=1S/C5H9N3.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2,(H,7,8);1H/p-1
InChIKeyHLJRAERMLKNULP-UHFFFAOYSA-M
MW146.60 g/mol
LogP-3.09
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)ethanamine chloride

2-(1H-pyrazol-5-yl)ethanamine chloride (PubChem CID 53313225) has the molecular formula C5H9ClN3- and a molecular weight of 146.60 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)ethanamine chloride.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)ethanamine chloride
PubChem CID53313225
Molecular FormulaC5H9ClN3-
Molecular Weight146.60 g/mol
Exact Mass146.05
IUPAC Name2-(1H-pyrazol-5-yl)ethanamine chloride
SMILESNCCc1ccn[nH]1.[Cl-]
InChIInChI=1S/C5H9N3.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2,(H,7,8);1H/p-1
InChIKeyHLJRAERMLKNULP-UHFFFAOYSA-M
XLogP-3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.60
LogP ≤ 5-3.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)ethanamine chloride?
The IUPAC name of 2-(1H-pyrazol-5-yl)ethanamine chloride (CID 53313225) is 2-(1H-pyrazol-5-yl)ethanamine chloride.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)ethanamine chloride?
The canonical SMILES for 2-(1H-pyrazol-5-yl)ethanamine chloride is NCCc1ccn[nH]1.[Cl-].
What is the InChIKey of 2-(1H-pyrazol-5-yl)ethanamine chloride?
The InChIKey is HLJRAERMLKNULP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9N3.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2,(H,7,8);1H/p-1.
What are the key properties of 2-(1H-pyrazol-5-yl)ethanamine chloride?
2-(1H-pyrazol-5-yl)ethanamine chloride has a molecular weight of 146.60 g/mol, XLogP of -3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)ethanamine chloride is sourced from PubChem (CID 53313225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).