5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine

C9H10ClN3 — CID 176811583

IUPAC5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine
SMILESCC(C)n1ncc2cc(Cl)ncc21
InChIInChI=1S/C9H10ClN3/c1-6(2)13-8-5-11-9(10)3-7(8)4-12-13/h3-6H,1-2H3
InChIKeyJRUYJOZVQWSSCO-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.67
Rot. Bonds1

About 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine

5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine (PubChem CID 176811583) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine
PubChem CID176811583
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine
SMILESCC(C)n1ncc2cc(Cl)ncc21
InChIInChI=1S/C9H10ClN3/c1-6(2)13-8-5-11-9(10)3-7(8)4-12-13/h3-6H,1-2H3
InChIKeyJRUYJOZVQWSSCO-UHFFFAOYSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine?
The IUPAC name of 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine (CID 176811583) is 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine is CC(C)n1ncc2cc(Cl)ncc21.
What is the InChIKey of 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine?
The InChIKey is JRUYJOZVQWSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-6(2)13-8-5-11-9(10)3-7(8)4-12-13/h3-6H,1-2H3.
What are the key properties of 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine?
5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine has a molecular weight of 195.65 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 176811583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).