potassium 3-nitropyrazol-1-ide

C3H2KN3O2 — CID 138392530

IUPACpotassium 3-nitropyrazol-1-ide
SMILESO=[N+]([O-])c1cc[n-]n1.[K+]
InChIInChI=1S/C3H2N3O2.K/c7-6(8)3-1-2-4-5-3;/h1-2H;/q-1;+1
InChIKeyAMRYZIZQJBMSJP-UHFFFAOYSA-N
MW151.17 g/mol
LogP-3.05
Rot. Bonds1

About potassium 3-nitropyrazol-1-ide

potassium 3-nitropyrazol-1-ide (PubChem CID 138392530) has the molecular formula C3H2KN3O2 and a molecular weight of 151.17 g/mol. Its IUPAC name is potassium 3-nitropyrazol-1-ide.

Molecular Properties

Compound Namepotassium 3-nitropyrazol-1-ide
PubChem CID138392530
Molecular FormulaC3H2KN3O2
Molecular Weight151.17 g/mol
Exact Mass150.98
IUPAC Namepotassium 3-nitropyrazol-1-ide
SMILESO=[N+]([O-])c1cc[n-]n1.[K+]
InChIInChI=1S/C3H2N3O2.K/c7-6(8)3-1-2-4-5-3;/h1-2H;/q-1;+1
InChIKeyAMRYZIZQJBMSJP-UHFFFAOYSA-N
XLogP-3.05
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-3.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium 3-nitropyrazol-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 3-nitropyrazol-1-ide?
The IUPAC name of potassium 3-nitropyrazol-1-ide (CID 138392530) is potassium 3-nitropyrazol-1-ide.
What is the SMILES notation for potassium 3-nitropyrazol-1-ide?
The canonical SMILES for potassium 3-nitropyrazol-1-ide is O=[N+]([O-])c1cc[n-]n1.[K+].
What is the InChIKey of potassium 3-nitropyrazol-1-ide?
The InChIKey is AMRYZIZQJBMSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N3O2.K/c7-6(8)3-1-2-4-5-3;/h1-2H;/q-1;+1.
What are the key properties of potassium 3-nitropyrazol-1-ide?
potassium 3-nitropyrazol-1-ide has a molecular weight of 151.17 g/mol, XLogP of -3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-nitropyrazol-1-ide is sourced from PubChem (CID 138392530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).