oxo(1H-pyrazol-5-yloxy)borane

C3H3BN2O2 — CID 90694774

IUPACoxo(1H-pyrazol-5-yloxy)borane
SMILESO=BOc1ccn[nH]1
InChIInChI=1S/C3H3BN2O2/c7-4-8-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyZYDWWQMUPNRTFH-UHFFFAOYSA-N
MW109.88 g/mol
LogP-0.25
Rot. Bonds2

About oxo(1H-pyrazol-5-yloxy)borane

oxo(1H-pyrazol-5-yloxy)borane (PubChem CID 90694774) has the molecular formula C3H3BN2O2 and a molecular weight of 109.88 g/mol. Its IUPAC name is oxo(1H-pyrazol-5-yloxy)borane.

Molecular Properties

Compound Nameoxo(1H-pyrazol-5-yloxy)borane
PubChem CID90694774
Molecular FormulaC3H3BN2O2
Molecular Weight109.88 g/mol
Exact Mass110.03
IUPAC Nameoxo(1H-pyrazol-5-yloxy)borane
SMILESO=BOc1ccn[nH]1
InChIInChI=1S/C3H3BN2O2/c7-4-8-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyZYDWWQMUPNRTFH-UHFFFAOYSA-N
XLogP-0.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.88
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze oxo(1H-pyrazol-5-yloxy)borane 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 oxo(1H-pyrazol-5-yloxy)borane?
The IUPAC name of oxo(1H-pyrazol-5-yloxy)borane (CID 90694774) is oxo(1H-pyrazol-5-yloxy)borane.
What is the SMILES notation for oxo(1H-pyrazol-5-yloxy)borane?
The canonical SMILES for oxo(1H-pyrazol-5-yloxy)borane is O=BOc1ccn[nH]1.
What is the InChIKey of oxo(1H-pyrazol-5-yloxy)borane?
The InChIKey is ZYDWWQMUPNRTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BN2O2/c7-4-8-3-1-2-5-6-3/h1-2H,(H,5,6).
What are the key properties of oxo(1H-pyrazol-5-yloxy)borane?
oxo(1H-pyrazol-5-yloxy)borane has a molecular weight of 109.88 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(1H-pyrazol-5-yloxy)borane is sourced from PubChem (CID 90694774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).