4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole

C6H4N6O4 — CID 3089388

IUPAC4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O4/c13-11(14)3-1-7-9-5(3)6-4(12(15)16)2-8-10-6/h1-2H,(H,7,9)(H,8,10)
InChIKeyPUAXQLNEVUEURA-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.62
Rot. Bonds3

About 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole

4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole (PubChem CID 3089388) has the molecular formula C6H4N6O4 and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole
PubChem CID3089388
Molecular FormulaC6H4N6O4
Molecular Weight224.14 g/mol
Exact Mass224.03
IUPAC Name4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O4/c13-11(14)3-1-7-9-5(3)6-4(12(15)16)2-8-10-6/h1-2H,(H,7,9)(H,8,10)
InChIKeyPUAXQLNEVUEURA-UHFFFAOYSA-N
XLogP0.62
TPSA143.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole?
The IUPAC name of 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole (CID 3089388) is 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole.
What is the SMILES notation for 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole?
The canonical SMILES for 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole is O=[N+]([O-])c1cn[nH]c1-c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole?
The InChIKey is PUAXQLNEVUEURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O4/c13-11(14)3-1-7-9-5(3)6-4(12(15)16)2-8-10-6/h1-2H,(H,7,9)(H,8,10).
What are the key properties of 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole?
4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole has a molecular weight of 224.14 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazole is sourced from PubChem (CID 3089388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).