[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid

C10H10BFN2O2 — CID 66521547

IUPAC[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid
SMILESCc1cc(F)ccc1-n1cc(B(O)O)cn1
InChIInChI=1S/C10H10BFN2O2/c1-7-4-9(12)2-3-10(7)14-6-8(5-13-14)11(15)16/h2-6,15-16H,1H3
InChIKeyWKYBWTPEJQNEHE-UHFFFAOYSA-N
MW220.01 g/mol
LogP-0.00
Rot. Bonds2

About [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid

[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid (PubChem CID 66521547) has the molecular formula C10H10BFN2O2 and a molecular weight of 220.01 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid
PubChem CID66521547
Molecular FormulaC10H10BFN2O2
Molecular Weight220.01 g/mol
Exact Mass220.08
IUPAC Name[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid
SMILESCc1cc(F)ccc1-n1cc(B(O)O)cn1
InChIInChI=1S/C10H10BFN2O2/c1-7-4-9(12)2-3-10(7)14-6-8(5-13-14)11(15)16/h2-6,15-16H,1H3
InChIKeyWKYBWTPEJQNEHE-UHFFFAOYSA-N
XLogP-0.00
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(4-fluoro-2-methylphenyl)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-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid (CID 66521547) is [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid is Cc1cc(F)ccc1-n1cc(B(O)O)cn1.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid?
The InChIKey is WKYBWTPEJQNEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BFN2O2/c1-7-4-9(12)2-3-10(7)14-6-8(5-13-14)11(15)16/h2-6,15-16H,1H3.
What are the key properties of [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid?
[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid has a molecular weight of 220.01 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid is sourced from PubChem (CID 66521547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).