3-nitro-1-nitrosopyrazole

C3H2N4O3 — CID 126544731

IUPAC3-nitro-1-nitrosopyrazole
SMILESO=Nn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C3H2N4O3/c8-5-6-2-1-3(4-6)7(9)10/h1-2H
InChIKeyKZQUWZLYOPPNRC-UHFFFAOYSA-N
MW142.07 g/mol
LogP0.32
Rot. Bonds2

About 3-nitro-1-nitrosopyrazole

3-nitro-1-nitrosopyrazole (PubChem CID 126544731) has the molecular formula C3H2N4O3 and a molecular weight of 142.07 g/mol. Its IUPAC name is 3-nitro-1-nitrosopyrazole.

Molecular Properties

Compound Name3-nitro-1-nitrosopyrazole
PubChem CID126544731
Molecular FormulaC3H2N4O3
Molecular Weight142.07 g/mol
Exact Mass142.01
IUPAC Name3-nitro-1-nitrosopyrazole
SMILESO=Nn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C3H2N4O3/c8-5-6-2-1-3(4-6)7(9)10/h1-2H
InChIKeyKZQUWZLYOPPNRC-UHFFFAOYSA-N
XLogP0.32
TPSA90.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.07
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 3-nitro-1-nitrosopyrazole?
The IUPAC name of 3-nitro-1-nitrosopyrazole (CID 126544731) is 3-nitro-1-nitrosopyrazole.
What is the SMILES notation for 3-nitro-1-nitrosopyrazole?
The canonical SMILES for 3-nitro-1-nitrosopyrazole is O=Nn1ccc([N+](=O)[O-])n1.
What is the InChIKey of 3-nitro-1-nitrosopyrazole?
The InChIKey is KZQUWZLYOPPNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4O3/c8-5-6-2-1-3(4-6)7(9)10/h1-2H.
What are the key properties of 3-nitro-1-nitrosopyrazole?
3-nitro-1-nitrosopyrazole has a molecular weight of 142.07 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-nitrosopyrazole is sourced from PubChem (CID 126544731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).