methoxy(1H-pyrazol-5-yl)borinic acid

C4H7BN2O2 — CID 163384124

IUPACmethoxy(1H-pyrazol-5-yl)borinic acid
SMILESCOB(O)c1ccn[nH]1
InChIInChI=1S/C4H7BN2O2/c1-9-5(8)4-2-3-6-7-4/h2-3,8H,1H3,(H,6,7)
InChIKeyBJRGETKVJZXXLT-UHFFFAOYSA-N
MW125.92 g/mol
LogP-1.26
Rot. Bonds2

About methoxy(1H-pyrazol-5-yl)borinic acid

methoxy(1H-pyrazol-5-yl)borinic acid (PubChem CID 163384124) has the molecular formula C4H7BN2O2 and a molecular weight of 125.92 g/mol. Its IUPAC name is methoxy(1H-pyrazol-5-yl)borinic acid.

Molecular Properties

Compound Namemethoxy(1H-pyrazol-5-yl)borinic acid
PubChem CID163384124
Molecular FormulaC4H7BN2O2
Molecular Weight125.92 g/mol
Exact Mass126.06
IUPAC Namemethoxy(1H-pyrazol-5-yl)borinic acid
SMILESCOB(O)c1ccn[nH]1
InChIInChI=1S/C4H7BN2O2/c1-9-5(8)4-2-3-6-7-4/h2-3,8H,1H3,(H,6,7)
InChIKeyBJRGETKVJZXXLT-UHFFFAOYSA-N
XLogP-1.26
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.92
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 methoxy(1H-pyrazol-5-yl)borinic acid?
The IUPAC name of methoxy(1H-pyrazol-5-yl)borinic acid (CID 163384124) is methoxy(1H-pyrazol-5-yl)borinic acid.
What is the SMILES notation for methoxy(1H-pyrazol-5-yl)borinic acid?
The canonical SMILES for methoxy(1H-pyrazol-5-yl)borinic acid is COB(O)c1ccn[nH]1.
What is the InChIKey of methoxy(1H-pyrazol-5-yl)borinic acid?
The InChIKey is BJRGETKVJZXXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BN2O2/c1-9-5(8)4-2-3-6-7-4/h2-3,8H,1H3,(H,6,7).
What are the key properties of methoxy(1H-pyrazol-5-yl)borinic acid?
methoxy(1H-pyrazol-5-yl)borinic acid has a molecular weight of 125.92 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(1H-pyrazol-5-yl)borinic acid is sourced from PubChem (CID 163384124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).