[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid

C11H13BN2O3 — CID 125497935

IUPAC[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid
SMILESOCCn1cc(-c2ccc(B(O)O)cc2)cn1
InChIInChI=1S/C11H13BN2O3/c15-6-5-14-8-10(7-13-14)9-1-3-11(4-2-9)12(16)17/h1-4,7-8,15-17H,5-6H2
InChIKeyMRVMQTPPDXVDGE-UHFFFAOYSA-N
MW232.05 g/mol
LogP-0.78
Rot. Bonds4

About [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid

[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid (PubChem CID 125497935) has the molecular formula C11H13BN2O3 and a molecular weight of 232.05 g/mol. Its IUPAC name is [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid
PubChem CID125497935
Molecular FormulaC11H13BN2O3
Molecular Weight232.05 g/mol
Exact Mass232.10
IUPAC Name[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid
SMILESOCCn1cc(-c2ccc(B(O)O)cc2)cn1
InChIInChI=1S/C11H13BN2O3/c15-6-5-14-8-10(7-13-14)9-1-3-11(4-2-9)12(16)17/h1-4,7-8,15-17H,5-6H2
InChIKeyMRVMQTPPDXVDGE-UHFFFAOYSA-N
XLogP-0.78
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62770459
2-[4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-1-yl]ethanol
CID 72924283
2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol
CID 141336990
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol
CID 172649274
3-[1-(2-hydroxyethyl)pyrazol-4-yl]benzaldehyde
CID 172649272
[3-(1-ethylpyrazol-4-yl)phenyl]boronic acid
CID 130141673
2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol
CID 56716387
2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol
CID 141297630
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid?
The IUPAC name of [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid (CID 125497935) is [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid.
What is the SMILES notation for [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid?
The canonical SMILES for [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid is OCCn1cc(-c2ccc(B(O)O)cc2)cn1.
What is the InChIKey of [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid?
The InChIKey is MRVMQTPPDXVDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BN2O3/c15-6-5-14-8-10(7-13-14)9-1-3-11(4-2-9)12(16)17/h1-4,7-8,15-17H,5-6H2.
What are the key properties of [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid?
[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid has a molecular weight of 232.05 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid is sourced from PubChem (CID 125497935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).