1H-pyrazol-2-ium

C3H5N2+ — CID 3416953

IUPAC1H-pyrazol-2-ium
SMILESc1c[nH][nH+]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-0.17
Rot. Bonds

About 1H-pyrazol-2-ium

1H-pyrazol-2-ium (PubChem CID 3416953) has the molecular formula C3H5N2+ and a molecular weight of 69.09 g/mol. Its IUPAC name is 1H-pyrazol-2-ium.

Molecular Properties

Compound Name1H-pyrazol-2-ium
PubChem CID3416953
Molecular FormulaC3H5N2+
Molecular Weight69.09 g/mol
Exact Mass69.04
IUPAC Name1H-pyrazol-2-ium
SMILESc1c[nH][nH+]c1
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/p+1
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-O
XLogP-0.17
TPSA29.93 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.09
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Pyrazole
CID 1048
1H-pyrazol-4-amine
CID 78035
3-Iodo-1H-pyrazole
CID 1239830
3-bromo-1H-pyrazole
CID 1201443
1H-Pyrazole-5-boronic acid
CID 11251979
3-Chloro-1H-pyrazole
CID 6426710
1H-pyrazol-1-amine
CID 11829352
3-fluoro-1H-pyrazole
CID 15055508
1H-Pyrazole, hydrochloride (1:1)
CID 190350
Trimethylsilylpyrazole
CID 580566
Potassium trifluoro(1H-pyrazol-5-yl)borate(1-)
CID 25212877
Pyrazole-d4
CID 71309634

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-2-ium?
The IUPAC name of 1H-pyrazol-2-ium (CID 3416953) is 1H-pyrazol-2-ium.
What is the SMILES notation for 1H-pyrazol-2-ium?
The canonical SMILES for 1H-pyrazol-2-ium is c1c[nH][nH+]c1.
What is the InChIKey of 1H-pyrazol-2-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-2-ium?
1H-pyrazol-2-ium has a molecular weight of 69.09 g/mol, XLogP of -0.17, 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 is sourced from PubChem (CID 3416953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).