4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid

C7H11BN2O2 — CID 66764821

IUPAC4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
SMILESOB(O)c1cnn2c1CCCC2
InChIInChI=1S/C7H11BN2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h5,11-12H,1-4H2
InChIKeyGLMYNMDEPULTTC-UHFFFAOYSA-N
MW165.99 g/mol
LogP-1.10
Rot. Bonds1

About 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid

4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid (PubChem CID 66764821) has the molecular formula C7H11BN2O2 and a molecular weight of 165.99 g/mol. Its IUPAC name is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
PubChem CID66764821
Molecular FormulaC7H11BN2O2
Molecular Weight165.99 g/mol
Exact Mass166.09
IUPAC Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
SMILESOB(O)c1cnn2c1CCCC2
InChIInChI=1S/C7H11BN2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h5,11-12H,1-4H2
InChIKeyGLMYNMDEPULTTC-UHFFFAOYSA-N
XLogP-1.10
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.99
LogP ≤ 5-1.10
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 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid?
The IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid (CID 66764821) is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid.
What is the SMILES notation for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid?
The canonical SMILES for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid is OB(O)c1cnn2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid?
The InChIKey is GLMYNMDEPULTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BN2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h5,11-12H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid?
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid has a molecular weight of 165.99 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid is sourced from PubChem (CID 66764821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).