methanesulfonate;1H-pyrazol-1-ium

C4H8N2O3S — CID 87298761

IUPACmethanesulfonate;1H-pyrazol-1-ium
SMILESC1=C[NH2+]N=C1.CS(=O)(=O)[O-]
InChIInChI=1S/C3H4N2.CH4O3S/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);1H3,(H,2,3,4)
InChIKeyCMUYAPPMAUVUBN-UHFFFAOYSA-N
MW164.19 g/mol
LogP-1.78
Rot. Bonds

About methanesulfonate;1H-pyrazol-1-ium

methanesulfonate;1H-pyrazol-1-ium (PubChem CID 87298761) has the molecular formula C4H8N2O3S and a molecular weight of 164.19 g/mol. Its IUPAC name is methanesulfonate;1H-pyrazol-1-ium.

Molecular Properties

Compound Namemethanesulfonate;1H-pyrazol-1-ium
PubChem CID87298761
Molecular FormulaC4H8N2O3S
Molecular Weight164.19 g/mol
Exact Mass164.03
IUPAC Namemethanesulfonate;1H-pyrazol-1-ium
SMILESC1=C[NH2+]N=C1.CS(=O)(=O)[O-]
InChIInChI=1S/C3H4N2.CH4O3S/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);1H3,(H,2,3,4)
InChIKeyCMUYAPPMAUVUBN-UHFFFAOYSA-N
XLogP-1.78
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonate;1H-pyrazol-1-ium?
The IUPAC name of methanesulfonate;1H-pyrazol-1-ium (CID 87298761) is methanesulfonate;1H-pyrazol-1-ium.
What is the SMILES notation for methanesulfonate;1H-pyrazol-1-ium?
The canonical SMILES for methanesulfonate;1H-pyrazol-1-ium is C1=C[NH2+]N=C1.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;1H-pyrazol-1-ium?
The InChIKey is CMUYAPPMAUVUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH4O3S/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);1H3,(H,2,3,4).
What are the key properties of methanesulfonate;1H-pyrazol-1-ium?
methanesulfonate;1H-pyrazol-1-ium has a molecular weight of 164.19 g/mol, XLogP of -1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;1H-pyrazol-1-ium is sourced from PubChem (CID 87298761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).