ethoxy-methyl-(1H-pyrazol-4-yl)borane

C6H11BN2O — CID 123143858

IUPACethoxy-methyl-(1H-pyrazol-4-yl)borane
SMILESCCOB(C)c1cn[nH]c1
InChIInChI=1S/C6H11BN2O/c1-3-10-7(2)6-4-8-9-5-6/h4-5H,3H2,1-2H3,(H,8,9)
InChIKeyFHULMDGZIDKWFR-UHFFFAOYSA-N
MW137.98 g/mol
LogP0.27
Rot. Bonds3

About ethoxy-methyl-(1H-pyrazol-4-yl)borane

ethoxy-methyl-(1H-pyrazol-4-yl)borane (PubChem CID 123143858) has the molecular formula C6H11BN2O and a molecular weight of 137.98 g/mol. Its IUPAC name is ethoxy-methyl-(1H-pyrazol-4-yl)borane.

Molecular Properties

Compound Nameethoxy-methyl-(1H-pyrazol-4-yl)borane
PubChem CID123143858
Molecular FormulaC6H11BN2O
Molecular Weight137.98 g/mol
Exact Mass138.10
IUPAC Nameethoxy-methyl-(1H-pyrazol-4-yl)borane
SMILESCCOB(C)c1cn[nH]c1
InChIInChI=1S/C6H11BN2O/c1-3-10-7(2)6-4-8-9-5-6/h4-5H,3H2,1-2H3,(H,8,9)
InChIKeyFHULMDGZIDKWFR-UHFFFAOYSA-N
XLogP0.27
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.98
LogP ≤ 50.27
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 ethoxy-methyl-(1H-pyrazol-4-yl)borane?
The IUPAC name of ethoxy-methyl-(1H-pyrazol-4-yl)borane (CID 123143858) is ethoxy-methyl-(1H-pyrazol-4-yl)borane.
What is the SMILES notation for ethoxy-methyl-(1H-pyrazol-4-yl)borane?
The canonical SMILES for ethoxy-methyl-(1H-pyrazol-4-yl)borane is CCOB(C)c1cn[nH]c1.
What is the InChIKey of ethoxy-methyl-(1H-pyrazol-4-yl)borane?
The InChIKey is FHULMDGZIDKWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BN2O/c1-3-10-7(2)6-4-8-9-5-6/h4-5H,3H2,1-2H3,(H,8,9).
What are the key properties of ethoxy-methyl-(1H-pyrazol-4-yl)borane?
ethoxy-methyl-(1H-pyrazol-4-yl)borane has a molecular weight of 137.98 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-(1H-pyrazol-4-yl)borane is sourced from PubChem (CID 123143858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).