1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde

C9H9N3O — CID 47002145

IUPAC1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
SMILESCc1nn(C)c2ncc(C=O)cc12
InChIInChI=1S/C9H9N3O/c1-6-8-3-7(5-13)4-10-9(8)12(2)11-6/h3-5H,1-2H3
InChIKeyOLOZBXHUXMYKEO-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.09
Rot. Bonds1

About 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde

1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde (PubChem CID 47002145) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
PubChem CID47002145
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
SMILESCc1nn(C)c2ncc(C=O)cc12
InChIInChI=1S/C9H9N3O/c1-6-8-3-7(5-13)4-10-9(8)12(2)11-6/h3-5H,1-2H3
InChIKeyOLOZBXHUXMYKEO-UHFFFAOYSA-N
XLogP1.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde (CID 47002145) is 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde is Cc1nn(C)c2ncc(C=O)cc12.
What is the InChIKey of 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde?
The InChIKey is OLOZBXHUXMYKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-8-3-7(5-13)4-10-9(8)12(2)11-6/h3-5H,1-2H3.
What are the key properties of 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde?
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 47002145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).