[2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid

C10H8BN3O3 — CID 142761593

IUPAC[2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid
SMILESN#Cc1ccc(-n2nccc2OB(O)O)cc1
InChIInChI=1S/C10H8BN3O3/c12-7-8-1-3-9(4-2-8)14-10(5-6-13-14)17-11(15)16/h1-6,15-16H
InChIKeyIFVCUNFFVCDNGL-UHFFFAOYSA-N
MW229.00 g/mol
LogP0.09
Rot. Bonds3

About [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid

[2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid (PubChem CID 142761593) has the molecular formula C10H8BN3O3 and a molecular weight of 229.00 g/mol. Its IUPAC name is [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid.

Molecular Properties

Compound Name[2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid
PubChem CID142761593
Molecular FormulaC10H8BN3O3
Molecular Weight229.00 g/mol
Exact Mass229.07
IUPAC Name[2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid
SMILESN#Cc1ccc(-n2nccc2OB(O)O)cc1
InChIInChI=1S/C10H8BN3O3/c12-7-8-1-3-9(4-2-8)14-10(5-6-13-14)17-11(15)16/h1-6,15-16H
InChIKeyIFVCUNFFVCDNGL-UHFFFAOYSA-N
XLogP0.09
TPSA91.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.00
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methylphenyl)pyrazol-3-yl]oxyboronic acid
CID 142770990
4-(5-cyclopropylpyrazol-1-yl)benzonitrile
CID 74891905
2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole
CID 158699619
[1-(4-cyanophenyl)pyrazol-4-yl]boronic acid
CID 66521545
4-[5-(4-hydroxy-3-methoxy-5-nitrophenyl)pyrazol-1-yl]benzonitrile
CID 135923301
[3-(4-cyanophenyl)triazol-4-yl] acetate
CID 121220047
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)pyrazol-1-yl]benzonitrile
CID 90251681
6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile
CID 141118111
(5-cyano-1-methylpyrrol-2-yl)oxyboronic acid
CID 69142190
N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538646
4-[5-(chloromethyl)-1,2,4-triazol-1-yl]benzonitrile
CID 107447283

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid?
The IUPAC name of [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid (CID 142761593) is [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid.
What is the SMILES notation for [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid?
The canonical SMILES for [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid is N#Cc1ccc(-n2nccc2OB(O)O)cc1.
What is the InChIKey of [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid?
The InChIKey is IFVCUNFFVCDNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BN3O3/c12-7-8-1-3-9(4-2-8)14-10(5-6-13-14)17-11(15)16/h1-6,15-16H.
What are the key properties of [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid?
[2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid has a molecular weight of 229.00 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid is sourced from PubChem (CID 142761593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).