[3-(1-methylpyrazol-4-yl)phenyl]boronic acid

C10H11BN2O2 — CID 130118340

IUPAC[3-(1-methylpyrazol-4-yl)phenyl]boronic acid
SMILESCn1cc(-c2cccc(B(O)O)c2)cn1
InChIInChI=1S/C10H11BN2O2/c1-13-7-9(6-12-13)8-3-2-4-10(5-8)11(14)15/h2-7,14-15H,1H3
InChIKeyVBVUSCPSDLRSNB-UHFFFAOYSA-N
MW202.02 g/mol
LogP-0.23
Rot. Bonds2

About [3-(1-methylpyrazol-4-yl)phenyl]boronic acid

[3-(1-methylpyrazol-4-yl)phenyl]boronic acid (PubChem CID 130118340) has the molecular formula C10H11BN2O2 and a molecular weight of 202.02 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)phenyl]boronic acid
PubChem CID130118340
Molecular FormulaC10H11BN2O2
Molecular Weight202.02 g/mol
Exact Mass202.09
IUPAC Name[3-(1-methylpyrazol-4-yl)phenyl]boronic acid
SMILESCn1cc(-c2cccc(B(O)O)c2)cn1
InChIInChI=1S/C10H11BN2O2/c1-13-7-9(6-12-13)8-3-2-4-10(5-8)11(14)15/h2-7,14-15H,1H3
InChIKeyVBVUSCPSDLRSNB-UHFFFAOYSA-N
XLogP-0.23
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.02
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(1-methylpyrazol-4-yl)phenyl]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 [3-(1-methylpyrazol-4-yl)phenyl]boronic acid?
The IUPAC name of [3-(1-methylpyrazol-4-yl)phenyl]boronic acid (CID 130118340) is [3-(1-methylpyrazol-4-yl)phenyl]boronic acid.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)phenyl]boronic acid?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)phenyl]boronic acid is Cn1cc(-c2cccc(B(O)O)c2)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)phenyl]boronic acid?
The InChIKey is VBVUSCPSDLRSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN2O2/c1-13-7-9(6-12-13)8-3-2-4-10(5-8)11(14)15/h2-7,14-15H,1H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)phenyl]boronic acid?
[3-(1-methylpyrazol-4-yl)phenyl]boronic acid has a molecular weight of 202.02 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)phenyl]boronic acid is sourced from PubChem (CID 130118340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).