(1-methyl-5-phenylpyrazol-4-yl)boronic acid

C10H11BN2O2 — CID 91800306

IUPAC(1-methyl-5-phenylpyrazol-4-yl)boronic acid
SMILESCn1ncc(B(O)O)c1-c1ccccc1
InChIInChI=1S/C10H11BN2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7,14-15H,1H3
InChIKeyNBRBMOLQILZVPM-UHFFFAOYSA-N
MW202.02 g/mol
LogP-0.23
Rot. Bonds2

About (1-methyl-5-phenylpyrazol-4-yl)boronic acid

(1-methyl-5-phenylpyrazol-4-yl)boronic acid (PubChem CID 91800306) has the molecular formula C10H11BN2O2 and a molecular weight of 202.02 g/mol. Its IUPAC name is (1-methyl-5-phenylpyrazol-4-yl)boronic acid.

Molecular Properties

Compound Name(1-methyl-5-phenylpyrazol-4-yl)boronic acid
PubChem CID91800306
Molecular FormulaC10H11BN2O2
Molecular Weight202.02 g/mol
Exact Mass202.09
IUPAC Name(1-methyl-5-phenylpyrazol-4-yl)boronic acid
SMILESCn1ncc(B(O)O)c1-c1ccccc1
InChIInChI=1S/C10H11BN2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7,14-15H,1H3
InChIKeyNBRBMOLQILZVPM-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-phenylpyrazol-4-yl)boronic acid?
The IUPAC name of (1-methyl-5-phenylpyrazol-4-yl)boronic acid (CID 91800306) is (1-methyl-5-phenylpyrazol-4-yl)boronic acid.
What is the SMILES notation for (1-methyl-5-phenylpyrazol-4-yl)boronic acid?
The canonical SMILES for (1-methyl-5-phenylpyrazol-4-yl)boronic acid is Cn1ncc(B(O)O)c1-c1ccccc1.
What is the InChIKey of (1-methyl-5-phenylpyrazol-4-yl)boronic acid?
The InChIKey is NBRBMOLQILZVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7,14-15H,1H3.
What are the key properties of (1-methyl-5-phenylpyrazol-4-yl)boronic acid?
(1-methyl-5-phenylpyrazol-4-yl)boronic acid has a molecular weight of 202.02 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-phenylpyrazol-4-yl)boronic acid is sourced from PubChem (CID 91800306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).