methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane

C8H15BN2O — CID 123713952

IUPACmethyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane
SMILESCB(OC(C)(C)C)c1cn[nH]c1
InChIInChI=1S/C8H15BN2O/c1-8(2,3)12-9(4)7-5-10-11-6-7/h5-6H,1-4H3,(H,10,11)
InChIKeyVGZHZYVGRJBJPZ-UHFFFAOYSA-N
MW166.03 g/mol
LogP1.05
Rot. Bonds2

About methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane

methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane (PubChem CID 123713952) has the molecular formula C8H15BN2O and a molecular weight of 166.03 g/mol. Its IUPAC name is methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane.

Molecular Properties

Compound Namemethyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane
PubChem CID123713952
Molecular FormulaC8H15BN2O
Molecular Weight166.03 g/mol
Exact Mass166.13
IUPAC Namemethyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane
SMILESCB(OC(C)(C)C)c1cn[nH]c1
InChIInChI=1S/C8H15BN2O/c1-8(2,3)12-9(4)7-5-10-11-6-7/h5-6H,1-4H3,(H,10,11)
InChIKeyVGZHZYVGRJBJPZ-UHFFFAOYSA-N
XLogP1.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.03
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane?
The IUPAC name of methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane (CID 123713952) is methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane.
What is the SMILES notation for methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane?
The canonical SMILES for methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane is CB(OC(C)(C)C)c1cn[nH]c1.
What is the InChIKey of methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane?
The InChIKey is VGZHZYVGRJBJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BN2O/c1-8(2,3)12-9(4)7-5-10-11-6-7/h5-6H,1-4H3,(H,10,11).
What are the key properties of methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane?
methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane has a molecular weight of 166.03 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-methylpropan-2-yl)oxy]-(1H-pyrazol-4-yl)borane is sourced from PubChem (CID 123713952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).