4-nitropyrazol-1-ide

C3H2N3O2- — CID 3376397

IUPAC4-nitropyrazol-1-ide
SMILESO=[N+]([O-])c1cn[n-]c1
InChIInChI=1S/C3H2N3O2/c7-6(8)3-1-4-5-2-3/h1-2H/q-1
InChIKeyIDGLPDIIVPZHRB-UHFFFAOYSA-N
MW112.07 g/mol
LogP-0.05
Rot. Bonds1

About 4-nitropyrazol-1-ide

4-nitropyrazol-1-ide (PubChem CID 3376397) has the molecular formula C3H2N3O2- and a molecular weight of 112.07 g/mol. Its IUPAC name is 4-nitropyrazol-1-ide.

Molecular Properties

Compound Name4-nitropyrazol-1-ide
PubChem CID3376397
Molecular FormulaC3H2N3O2-
Molecular Weight112.07 g/mol
Exact Mass112.02
IUPAC Name4-nitropyrazol-1-ide
SMILESO=[N+]([O-])c1cn[n-]c1
InChIInChI=1S/C3H2N3O2/c7-6(8)3-1-4-5-2-3/h1-2H/q-1
InChIKeyIDGLPDIIVPZHRB-UHFFFAOYSA-N
XLogP-0.05
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.07
LogP ≤ 5-0.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitropyrazol-1-ide?
The IUPAC name of 4-nitropyrazol-1-ide (CID 3376397) is 4-nitropyrazol-1-ide.
What is the SMILES notation for 4-nitropyrazol-1-ide?
The canonical SMILES for 4-nitropyrazol-1-ide is O=[N+]([O-])c1cn[n-]c1.
What is the InChIKey of 4-nitropyrazol-1-ide?
The InChIKey is IDGLPDIIVPZHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N3O2/c7-6(8)3-1-4-5-2-3/h1-2H/q-1.
What are the key properties of 4-nitropyrazol-1-ide?
4-nitropyrazol-1-ide has a molecular weight of 112.07 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitropyrazol-1-ide is sourced from PubChem (CID 3376397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).