diethoxy(1H-pyrazol-4-yl)borane

C7H13BN2O2 — CID 140881642

IUPACdiethoxy(1H-pyrazol-4-yl)borane
SMILESCCOB(OCC)c1cn[nH]c1
InChIInChI=1S/C7H13BN2O2/c1-3-11-8(12-4-2)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyPYNANEGKUKTSPM-UHFFFAOYSA-N
MW168.00 g/mol
LogP0.18
Rot. Bonds5

About diethoxy(1H-pyrazol-4-yl)borane

diethoxy(1H-pyrazol-4-yl)borane (PubChem CID 140881642) has the molecular formula C7H13BN2O2 and a molecular weight of 168.00 g/mol. Its IUPAC name is diethoxy(1H-pyrazol-4-yl)borane.

Molecular Properties

Compound Namediethoxy(1H-pyrazol-4-yl)borane
PubChem CID140881642
Molecular FormulaC7H13BN2O2
Molecular Weight168.00 g/mol
Exact Mass168.11
IUPAC Namediethoxy(1H-pyrazol-4-yl)borane
SMILESCCOB(OCC)c1cn[nH]c1
InChIInChI=1S/C7H13BN2O2/c1-3-11-8(12-4-2)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyPYNANEGKUKTSPM-UHFFFAOYSA-N
XLogP0.18
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.00
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethoxy(1H-pyrazol-4-yl)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 diethoxy(1H-pyrazol-4-yl)borane?
The IUPAC name of diethoxy(1H-pyrazol-4-yl)borane (CID 140881642) is diethoxy(1H-pyrazol-4-yl)borane.
What is the SMILES notation for diethoxy(1H-pyrazol-4-yl)borane?
The canonical SMILES for diethoxy(1H-pyrazol-4-yl)borane is CCOB(OCC)c1cn[nH]c1.
What is the InChIKey of diethoxy(1H-pyrazol-4-yl)borane?
The InChIKey is PYNANEGKUKTSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BN2O2/c1-3-11-8(12-4-2)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of diethoxy(1H-pyrazol-4-yl)borane?
diethoxy(1H-pyrazol-4-yl)borane has a molecular weight of 168.00 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(1H-pyrazol-4-yl)borane is sourced from PubChem (CID 140881642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).