1H-pyrazol-1-ium

C3H5N2+ — CID 3931953

IUPAC1H-pyrazol-1-ium
SMILESC1=C[NH2+]N=C1
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/p+1
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-O
MW69.09 g/mol
LogP-0.94
Rot. Bonds

About 1H-pyrazol-1-ium

1H-pyrazol-1-ium (PubChem CID 3931953) has the molecular formula C3H5N2+ and a molecular weight of 69.09 g/mol. Its IUPAC name is 1H-pyrazol-1-ium.

Molecular Properties

Compound Name1H-pyrazol-1-ium
PubChem CID3931953
Molecular FormulaC3H5N2+
Molecular Weight69.09 g/mol
Exact Mass69.04
IUPAC Name1H-pyrazol-1-ium
SMILESC1=C[NH2+]N=C1
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/p+1
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-O
XLogP-0.94
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.09
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-1-ium?
The IUPAC name of 1H-pyrazol-1-ium (CID 3931953) is 1H-pyrazol-1-ium.
What is the SMILES notation for 1H-pyrazol-1-ium?
The canonical SMILES for 1H-pyrazol-1-ium is C1=C[NH2+]N=C1.
What is the InChIKey of 1H-pyrazol-1-ium?
The InChIKey is WTKZEGDFNFYCGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/p+1.
What are the key properties of 1H-pyrazol-1-ium?
1H-pyrazol-1-ium has a molecular weight of 69.09 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-1-ium is sourced from PubChem (CID 3931953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).