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

C5H9BN2O2 — CID 59420136

IUPACdimethoxy(1H-pyrazol-4-yl)borane
SMILESCOB(OC)c1cn[nH]c1
InChIInChI=1S/C5H9BN2O2/c1-9-6(10-2)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
InChIKeyGDUHXWNBYLTPDJ-UHFFFAOYSA-N
MW139.95 g/mol
LogP-0.60
Rot. Bonds3

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

dimethoxy(1H-pyrazol-4-yl)borane (PubChem CID 59420136) has the molecular formula C5H9BN2O2 and a molecular weight of 139.95 g/mol. Its IUPAC name is dimethoxy(1H-pyrazol-4-yl)borane.

Molecular Properties

Compound Namedimethoxy(1H-pyrazol-4-yl)borane
PubChem CID59420136
Molecular FormulaC5H9BN2O2
Molecular Weight139.95 g/mol
Exact Mass140.08
IUPAC Namedimethoxy(1H-pyrazol-4-yl)borane
SMILESCOB(OC)c1cn[nH]c1
InChIInChI=1S/C5H9BN2O2/c1-9-6(10-2)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
InChIKeyGDUHXWNBYLTPDJ-UHFFFAOYSA-N
XLogP-0.60
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.95
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpyrazole
CID 3406
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 2774010
1H-Pyrazole-4-boronic acid
CID 17750278
4-methyl-1H-pyrazol-5-ylboronic acid
CID 66986063
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-pyrazole
CID 53406836
4-(1,3,2-Dioxaborolan-2-yl)pyrazole
CID 139599802
4-Fluoro-1H-pyrazol-5-ylboronic acid
CID 72212410
[ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite
CID 177248422
4-(dimethylphosphoryl)-1H-pyrazole
CID 165604104
4-Tributylstannylpyrazole
CID 10937203
Diethyl 1H-Pyrazol-4-ylphosphonate
CID 13427646
Boronic acid, B-1H-pyrazol-4-yl-, hydrochloride (1:1)
CID 53216435

Frequently Asked Questions

What is the IUPAC name of dimethoxy(1H-pyrazol-4-yl)borane?
The IUPAC name of dimethoxy(1H-pyrazol-4-yl)borane (CID 59420136) is dimethoxy(1H-pyrazol-4-yl)borane.
What is the SMILES notation for dimethoxy(1H-pyrazol-4-yl)borane?
The canonical SMILES for dimethoxy(1H-pyrazol-4-yl)borane is COB(OC)c1cn[nH]c1.
What is the InChIKey of dimethoxy(1H-pyrazol-4-yl)borane?
The InChIKey is GDUHXWNBYLTPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BN2O2/c1-9-6(10-2)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8).
What are the key properties of dimethoxy(1H-pyrazol-4-yl)borane?
dimethoxy(1H-pyrazol-4-yl)borane has a molecular weight of 139.95 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(1H-pyrazol-4-yl)borane is sourced from PubChem (CID 59420136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).