2-pyrazol-1-ylethylazanium chloride

C5H10ClN3 — CID 139060900

IUPAC2-pyrazol-1-ylethylazanium chloride
SMILES[Cl-].[NH3+]CCn1cccn1
InChIInChI=1S/C5H9N3.ClH/c6-2-5-8-4-1-3-7-8;/h1,3-4H,2,5-6H2;1H
InChIKeyNWAHYUGDDCSNPW-UHFFFAOYSA-N
MW147.61 g/mol
LogP-3.87
Rot. Bonds2

About 2-pyrazol-1-ylethylazanium chloride

2-pyrazol-1-ylethylazanium chloride (PubChem CID 139060900) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is 2-pyrazol-1-ylethylazanium chloride.

Molecular Properties

Compound Name2-pyrazol-1-ylethylazanium chloride
PubChem CID139060900
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name2-pyrazol-1-ylethylazanium chloride
SMILES[Cl-].[NH3+]CCn1cccn1
InChIInChI=1S/C5H9N3.ClH/c6-2-5-8-4-1-3-7-8;/h1,3-4H,2,5-6H2;1H
InChIKeyNWAHYUGDDCSNPW-UHFFFAOYSA-N
XLogP-3.87
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 5-3.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethylazanium chloride?
The IUPAC name of 2-pyrazol-1-ylethylazanium chloride (CID 139060900) is 2-pyrazol-1-ylethylazanium chloride.
What is the SMILES notation for 2-pyrazol-1-ylethylazanium chloride?
The canonical SMILES for 2-pyrazol-1-ylethylazanium chloride is [Cl-].[NH3+]CCn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylethylazanium chloride?
The InChIKey is NWAHYUGDDCSNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c6-2-5-8-4-1-3-7-8;/h1,3-4H,2,5-6H2;1H.
What are the key properties of 2-pyrazol-1-ylethylazanium chloride?
2-pyrazol-1-ylethylazanium chloride has a molecular weight of 147.61 g/mol, XLogP of -3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethylazanium chloride is sourced from PubChem (CID 139060900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).