5-nitro-3-nitroso-1H-pyrazol-4-ol

C3H2N4O4 — CID 163457977

IUPAC5-nitro-3-nitroso-1H-pyrazol-4-ol
SMILESO=Nc1n[nH]c([N+](=O)[O-])c1O
InChIInChI=1S/C3H2N4O4/c8-1-2(6-9)4-5-3(1)7(10)11/h8H,(H,4,5)
InChIKeyBMCCKXYHMAYDMC-UHFFFAOYSA-N
MW158.07 g/mol
LogP0.42
Rot. Bonds2

About 5-nitro-3-nitroso-1H-pyrazol-4-ol

5-nitro-3-nitroso-1H-pyrazol-4-ol (PubChem CID 163457977) has the molecular formula C3H2N4O4 and a molecular weight of 158.07 g/mol. Its IUPAC name is 5-nitro-3-nitroso-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-nitro-3-nitroso-1H-pyrazol-4-ol
PubChem CID163457977
Molecular FormulaC3H2N4O4
Molecular Weight158.07 g/mol
Exact Mass158.01
IUPAC Name5-nitro-3-nitroso-1H-pyrazol-4-ol
SMILESO=Nc1n[nH]c([N+](=O)[O-])c1O
InChIInChI=1S/C3H2N4O4/c8-1-2(6-9)4-5-3(1)7(10)11/h8H,(H,4,5)
InChIKeyBMCCKXYHMAYDMC-UHFFFAOYSA-N
XLogP0.42
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 50.42
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 5-nitro-3-nitroso-1H-pyrazol-4-ol?
The IUPAC name of 5-nitro-3-nitroso-1H-pyrazol-4-ol (CID 163457977) is 5-nitro-3-nitroso-1H-pyrazol-4-ol.
What is the SMILES notation for 5-nitro-3-nitroso-1H-pyrazol-4-ol?
The canonical SMILES for 5-nitro-3-nitroso-1H-pyrazol-4-ol is O=Nc1n[nH]c([N+](=O)[O-])c1O.
What is the InChIKey of 5-nitro-3-nitroso-1H-pyrazol-4-ol?
The InChIKey is BMCCKXYHMAYDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4O4/c8-1-2(6-9)4-5-3(1)7(10)11/h8H,(H,4,5).
What are the key properties of 5-nitro-3-nitroso-1H-pyrazol-4-ol?
5-nitro-3-nitroso-1H-pyrazol-4-ol has a molecular weight of 158.07 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-nitroso-1H-pyrazol-4-ol is sourced from PubChem (CID 163457977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).