(1-phenylpyrazol-4-yl)boronic acid

C9H9BN2O2 — CID 43145398

IUPAC(1-phenylpyrazol-4-yl)boronic acid
SMILESOB(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C9H9BN2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,13-14H
InChIKeyYHFFOAKRWYIKBG-UHFFFAOYSA-N
MW188.00 g/mol
LogP-0.45
Rot. Bonds2

About (1-phenylpyrazol-4-yl)boronic acid

(1-phenylpyrazol-4-yl)boronic acid (PubChem CID 43145398) has the molecular formula C9H9BN2O2 and a molecular weight of 188.00 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)boronic acid.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)boronic acid
PubChem CID43145398
Molecular FormulaC9H9BN2O2
Molecular Weight188.00 g/mol
Exact Mass188.08
IUPAC Name(1-phenylpyrazol-4-yl)boronic acid
SMILESOB(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C9H9BN2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,13-14H
InChIKeyYHFFOAKRWYIKBG-UHFFFAOYSA-N
XLogP-0.45
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.00
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-cyanophenyl)pyrazol-4-yl]boronic acid
CID 66521545
[3-(4-methylpyrazol-1-yl)phenyl]boronic acid
CID 86208031
[3-(4-chloropyrazol-1-yl)phenyl]boronic acid
CID 163342886
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
[1-[(R)-borono(phenyl)methyl]pyrazol-4-yl]boronic acid
CID 99773326
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]boronic acid
CID 66521547
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593
2-methyl-1-(1-phenylpyrazol-4-yl)cyclopropan-1-ol
CID 79333368
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)boronic acid?
The IUPAC name of (1-phenylpyrazol-4-yl)boronic acid (CID 43145398) is (1-phenylpyrazol-4-yl)boronic acid.
What is the SMILES notation for (1-phenylpyrazol-4-yl)boronic acid?
The canonical SMILES for (1-phenylpyrazol-4-yl)boronic acid is OB(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1-phenylpyrazol-4-yl)boronic acid?
The InChIKey is YHFFOAKRWYIKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BN2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,13-14H.
What are the key properties of (1-phenylpyrazol-4-yl)boronic acid?
(1-phenylpyrazol-4-yl)boronic acid has a molecular weight of 188.00 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)boronic acid is sourced from PubChem (CID 43145398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).