1-hydroxy-3,4-dinitropyrazole

C3H2N4O5 — CID 15329747

IUPAC1-hydroxy-3,4-dinitropyrazole
SMILESO=[N+]([O-])c1cn(O)nc1[N+](=O)[O-]
InChIInChI=1S/C3H2N4O5/c8-5-1-2(6(9)10)3(4-5)7(11)12/h1,8H
InChIKeyDIGWCOOHDBWEHC-UHFFFAOYSA-N
MW174.07 g/mol
LogP-0.06
Rot. Bonds2

About 1-hydroxy-3,4-dinitropyrazole

1-hydroxy-3,4-dinitropyrazole (PubChem CID 15329747) has the molecular formula C3H2N4O5 and a molecular weight of 174.07 g/mol. Its IUPAC name is 1-hydroxy-3,4-dinitropyrazole.

Molecular Properties

Compound Name1-hydroxy-3,4-dinitropyrazole
PubChem CID15329747
Molecular FormulaC3H2N4O5
Molecular Weight174.07 g/mol
Exact Mass174.00
IUPAC Name1-hydroxy-3,4-dinitropyrazole
SMILESO=[N+]([O-])c1cn(O)nc1[N+](=O)[O-]
InChIInChI=1S/C3H2N4O5/c8-5-1-2(6(9)10)3(4-5)7(11)12/h1,8H
InChIKeyDIGWCOOHDBWEHC-UHFFFAOYSA-N
XLogP-0.06
TPSA124.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-hydroxy-3,4-dinitropyrazole 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 1-hydroxy-3,4-dinitropyrazole?
The IUPAC name of 1-hydroxy-3,4-dinitropyrazole (CID 15329747) is 1-hydroxy-3,4-dinitropyrazole.
What is the SMILES notation for 1-hydroxy-3,4-dinitropyrazole?
The canonical SMILES for 1-hydroxy-3,4-dinitropyrazole is O=[N+]([O-])c1cn(O)nc1[N+](=O)[O-].
What is the InChIKey of 1-hydroxy-3,4-dinitropyrazole?
The InChIKey is DIGWCOOHDBWEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4O5/c8-5-1-2(6(9)10)3(4-5)7(11)12/h1,8H.
What are the key properties of 1-hydroxy-3,4-dinitropyrazole?
1-hydroxy-3,4-dinitropyrazole has a molecular weight of 174.07 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dinitropyrazole is sourced from PubChem (CID 15329747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).