[1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid

C10H12B2N2O4 — CID 99773326

IUPAC[1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid
SMILESOB(O)c1cnn([C@H](B(O)O)c2ccccc2)c1
InChIInChI=1S/C10H12B2N2O4/c15-11(16)9-6-13-14(7-9)10(12(17)18)8-4-2-1-3-5-8/h1-7,10,15-18H/t10-/m0/s1
InChIKeyABNQSLSZKRNDNJ-JTQLQIEISA-N
MW245.84 g/mol
LogP-1.84
Rot. Bonds4

About [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid

[1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid (PubChem CID 99773326) has the molecular formula C10H12B2N2O4 and a molecular weight of 245.84 g/mol. Its IUPAC name is [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid.

Molecular Properties

Compound Name[1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid
PubChem CID99773326
Molecular FormulaC10H12B2N2O4
Molecular Weight245.84 g/mol
Exact Mass246.10
IUPAC Name[1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid
SMILESOB(O)c1cnn([C@H](B(O)O)c2ccccc2)c1
InChIInChI=1S/C10H12B2N2O4/c15-11(16)9-6-13-14(7-9)10(12(17)18)8-4-2-1-3-5-8/h1-7,10,15-18H/t10-/m0/s1
InChIKeyABNQSLSZKRNDNJ-JTQLQIEISA-N
XLogP-1.84
TPSA98.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.84
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid 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 [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid?
The IUPAC name of [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid (CID 99773326) is [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid.
What is the SMILES notation for [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid?
The canonical SMILES for [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid is OB(O)c1cnn([C@H](B(O)O)c2ccccc2)c1.
What is the InChIKey of [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid?
The InChIKey is ABNQSLSZKRNDNJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12B2N2O4/c15-11(16)9-6-13-14(7-9)10(12(17)18)8-4-2-1-3-5-8/h1-7,10,15-18H/t10-/m0/s1.
What are the key properties of [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid?
[1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid has a molecular weight of 245.84 g/mol, XLogP of -1.84, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid is sourced from PubChem (CID 99773326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).