[2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate

C10H10N4O5 — CID 91109492

IUPAC[2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate
SMILESO=C(Cc1cn[nH]c1)OOOC(=O)Cc1cn[nH]c1
InChIInChI=1S/C10H10N4O5/c15-9(1-7-3-11-12-4-7)17-19-18-10(16)2-8-5-13-14-6-8/h3-6H,1-2H2,(H,11,12)(H,13,14)
InChIKeySOZFYOYEBFNJCV-UHFFFAOYSA-N
MW266.21 g/mol
LogP-0.15
Rot. Bonds6

About [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate

[2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate (PubChem CID 91109492) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate.

Molecular Properties

Compound Name[2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate
PubChem CID91109492
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name[2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate
SMILESO=C(Cc1cn[nH]c1)OOOC(=O)Cc1cn[nH]c1
InChIInChI=1S/C10H10N4O5/c15-9(1-7-3-11-12-4-7)17-19-18-10(16)2-8-5-13-14-6-8/h3-6H,1-2H2,(H,11,12)(H,13,14)
InChIKeySOZFYOYEBFNJCV-UHFFFAOYSA-N
XLogP-0.15
TPSA119.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate?
The IUPAC name of [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate (CID 91109492) is [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate.
What is the SMILES notation for [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate?
The canonical SMILES for [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate is O=C(Cc1cn[nH]c1)OOOC(=O)Cc1cn[nH]c1.
What is the InChIKey of [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate?
The InChIKey is SOZFYOYEBFNJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c15-9(1-7-3-11-12-4-7)17-19-18-10(16)2-8-5-13-14-6-8/h3-6H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate?
[2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate has a molecular weight of 266.21 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrazol-4-yl)acetyl]oxy 2-(1H-pyrazol-4-yl)ethaneperoxoate is sourced from PubChem (CID 91109492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).