(1-methylpyrazol-3-yl)boronic acid

C4H7BN2O2 — CID 53338706

IUPAC(1-methylpyrazol-3-yl)boronic acid
SMILESCn1ccc(B(O)O)n1
InChIInChI=1S/C4H7BN2O2/c1-7-3-2-4(6-7)5(8)9/h2-3,8-9H,1H3
InChIKeyWUDMJZRGWGQBQH-UHFFFAOYSA-N
MW125.92 g/mol
LogP-1.90
Rot. Bonds1

About (1-methylpyrazol-3-yl)boronic acid

(1-methylpyrazol-3-yl)boronic acid (PubChem CID 53338706) has the molecular formula C4H7BN2O2 and a molecular weight of 125.92 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)boronic acid.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)boronic acid
PubChem CID53338706
Molecular FormulaC4H7BN2O2
Molecular Weight125.92 g/mol
Exact Mass126.06
IUPAC Name(1-methylpyrazol-3-yl)boronic acid
SMILESCn1ccc(B(O)O)n1
InChIInChI=1S/C4H7BN2O2/c1-7-3-2-4(6-7)5(8)9/h2-3,8-9H,1H3
InChIKeyWUDMJZRGWGQBQH-UHFFFAOYSA-N
XLogP-1.90
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.92
LogP ≤ 5-1.90
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

[4-(1-methylpyrazol-3-yl)phenyl]boronic acid
CID 168964578
chromium;1,3-dimethylpyrazole
CID 174318008
[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]boronic acid
CID 175477435
1-methylpyrazol-3-amine;dihydrochloride
CID 67521051
1,3-dimethylpyrazole;phosphoric acid
CID 18388538
1-methylpyrazole-3-carboxamide
CID 13464586
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130270
formic acid;1-methylpyrazol-3-amine
CID 130345940
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 59693997
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
trifluoro-(1-methylpyrazol-3-yl)boranuide
CID 79779434

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)boronic acid?
The IUPAC name of (1-methylpyrazol-3-yl)boronic acid (CID 53338706) is (1-methylpyrazol-3-yl)boronic acid.
What is the SMILES notation for (1-methylpyrazol-3-yl)boronic acid?
The canonical SMILES for (1-methylpyrazol-3-yl)boronic acid is Cn1ccc(B(O)O)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)boronic acid?
The InChIKey is WUDMJZRGWGQBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BN2O2/c1-7-3-2-4(6-7)5(8)9/h2-3,8-9H,1H3.
What are the key properties of (1-methylpyrazol-3-yl)boronic acid?
(1-methylpyrazol-3-yl)boronic acid has a molecular weight of 125.92 g/mol, XLogP of -1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)boronic acid is sourced from PubChem (CID 53338706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).