[4-(5-methylpyrazol-1-yl)phenyl]boronic acid

C10H11BN2O2 — CID 164783046

IUPAC[4-(5-methylpyrazol-1-yl)phenyl]boronic acid
SMILESCc1ccnn1-c1ccc(B(O)O)cc1
InChIInChI=1S/C10H11BN2O2/c1-8-6-7-12-13(8)10-4-2-9(3-5-10)11(14)15/h2-7,14-15H,1H3
InChIKeyAVYYWPRXCVMBMO-UHFFFAOYSA-N
MW202.02 g/mol
LogP-0.14
Rot. Bonds2

About [4-(5-methylpyrazol-1-yl)phenyl]boronic acid

[4-(5-methylpyrazol-1-yl)phenyl]boronic acid (PubChem CID 164783046) has the molecular formula C10H11BN2O2 and a molecular weight of 202.02 g/mol. Its IUPAC name is [4-(5-methylpyrazol-1-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(5-methylpyrazol-1-yl)phenyl]boronic acid
PubChem CID164783046
Molecular FormulaC10H11BN2O2
Molecular Weight202.02 g/mol
Exact Mass202.09
IUPAC Name[4-(5-methylpyrazol-1-yl)phenyl]boronic acid
SMILESCc1ccnn1-c1ccc(B(O)O)cc1
InChIInChI=1S/C10H11BN2O2/c1-8-6-7-12-13(8)10-4-2-9(3-5-10)11(14)15/h2-7,14-15H,1H3
InChIKeyAVYYWPRXCVMBMO-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
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

5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
2-[4-(5-methylpyrazol-1-yl)phenyl]ethanol
CID 117290924
4-(5-methylpyrazol-1-yl)benzaldehyde
CID 105442092
N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291725
5-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 174605687
2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile
CID 117287094
2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 117307089
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide
CID 166432157
[2-(4-methylphenyl)pyrazol-3-yl]oxyboronic acid
CID 142770990

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]boronic acid?
The IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]boronic acid (CID 164783046) is [4-(5-methylpyrazol-1-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(5-methylpyrazol-1-yl)phenyl]boronic acid?
The canonical SMILES for [4-(5-methylpyrazol-1-yl)phenyl]boronic acid is Cc1ccnn1-c1ccc(B(O)O)cc1.
What is the InChIKey of [4-(5-methylpyrazol-1-yl)phenyl]boronic acid?
The InChIKey is AVYYWPRXCVMBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN2O2/c1-8-6-7-12-13(8)10-4-2-9(3-5-10)11(14)15/h2-7,14-15H,1H3.
What are the key properties of [4-(5-methylpyrazol-1-yl)phenyl]boronic acid?
[4-(5-methylpyrazol-1-yl)phenyl]boronic acid has a molecular weight of 202.02 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrazol-1-yl)phenyl]boronic acid is sourced from PubChem (CID 164783046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).