1H-pyrazol-2-ium chloride

C3H5ClN2 — CID 67909939

IUPAC1H-pyrazol-2-ium chloride
SMILES[Cl-].c1c[nH][nH+]c1
InChIInChI=1S/C3H4N2.ClH/c1-2-4-5-3-1;/h1-3H,(H,4,5);1H
InChIKeyJHTKOUJDEUQFOB-UHFFFAOYSA-N
MW104.54 g/mol
LogP-3.17
Rot. Bonds

About 1H-pyrazol-2-ium chloride

1H-pyrazol-2-ium chloride (PubChem CID 67909939) has the molecular formula C3H5ClN2 and a molecular weight of 104.54 g/mol. Its IUPAC name is 1H-pyrazol-2-ium chloride.

Molecular Properties

Compound Name1H-pyrazol-2-ium chloride
PubChem CID67909939
Molecular FormulaC3H5ClN2
Molecular Weight104.54 g/mol
Exact Mass104.01
IUPAC Name1H-pyrazol-2-ium chloride
SMILES[Cl-].c1c[nH][nH+]c1
InChIInChI=1S/C3H4N2.ClH/c1-2-4-5-3-1;/h1-3H,(H,4,5);1H
InChIKeyJHTKOUJDEUQFOB-UHFFFAOYSA-N
XLogP-3.17
TPSA29.93 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.54
LogP ≤ 5-3.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-2-ium chloride?
The IUPAC name of 1H-pyrazol-2-ium chloride (CID 67909939) is 1H-pyrazol-2-ium chloride.
What is the SMILES notation for 1H-pyrazol-2-ium chloride?
The canonical SMILES for 1H-pyrazol-2-ium chloride is [Cl-].c1c[nH][nH+]c1.
What is the InChIKey of 1H-pyrazol-2-ium chloride?
The InChIKey is JHTKOUJDEUQFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.ClH/c1-2-4-5-3-1;/h1-3H,(H,4,5);1H.
What are the key properties of 1H-pyrazol-2-ium chloride?
1H-pyrazol-2-ium chloride has a molecular weight of 104.54 g/mol, XLogP of -3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-2-ium chloride is sourced from PubChem (CID 67909939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).