sodium 4,5-dihydro-3H-pyrazol-5-ide

C3H5N2Na — CID 161337773

IUPACsodium 4,5-dihydro-3H-pyrazol-5-ide
SMILES[CH-]1CCN=N1.[Na+]
InChIInChI=1S/C3H5N2.Na/c1-2-4-5-3-1;/h2H,1,3H2;/q-1;+1
InChIKeyVMGMTUXETBIFBN-UHFFFAOYSA-N
MW92.08 g/mol
LogP-1.99
Rot. Bonds

About sodium 4,5-dihydro-3H-pyrazol-5-ide

sodium 4,5-dihydro-3H-pyrazol-5-ide (PubChem CID 161337773) has the molecular formula C3H5N2Na and a molecular weight of 92.08 g/mol. Its IUPAC name is sodium 4,5-dihydro-3H-pyrazol-5-ide.

Molecular Properties

Compound Namesodium 4,5-dihydro-3H-pyrazol-5-ide
PubChem CID161337773
Molecular FormulaC3H5N2Na
Molecular Weight92.08 g/mol
Exact Mass92.04
IUPAC Namesodium 4,5-dihydro-3H-pyrazol-5-ide
SMILES[CH-]1CCN=N1.[Na+]
InChIInChI=1S/C3H5N2.Na/c1-2-4-5-3-1;/h2H,1,3H2;/q-1;+1
InChIKeyVMGMTUXETBIFBN-UHFFFAOYSA-N
XLogP-1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.08
LogP ≤ 5-1.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 4,5-dihydro-3H-pyrazol-5-ide?
The IUPAC name of sodium 4,5-dihydro-3H-pyrazol-5-ide (CID 161337773) is sodium 4,5-dihydro-3H-pyrazol-5-ide.
What is the SMILES notation for sodium 4,5-dihydro-3H-pyrazol-5-ide?
The canonical SMILES for sodium 4,5-dihydro-3H-pyrazol-5-ide is [CH-]1CCN=N1.[Na+].
What is the InChIKey of sodium 4,5-dihydro-3H-pyrazol-5-ide?
The InChIKey is VMGMTUXETBIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2.Na/c1-2-4-5-3-1;/h2H,1,3H2;/q-1;+1.
What are the key properties of sodium 4,5-dihydro-3H-pyrazol-5-ide?
sodium 4,5-dihydro-3H-pyrazol-5-ide has a molecular weight of 92.08 g/mol, XLogP of -1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4,5-dihydro-3H-pyrazol-5-ide is sourced from PubChem (CID 161337773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).