3,3-dimethylpyrazolo[3,4-b]pyridine

C8H9N3 — CID 90929047

IUPAC3,3-dimethylpyrazolo[3,4-b]pyridine
SMILESCC1(C)N=Nc2ncccc21
InChIInChI=1S/C8H9N3/c1-8(2)6-4-3-5-9-7(6)10-11-8/h3-5H,1-2H3
InChIKeyNKYKCKRPZFAHJA-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.41
Rot. Bonds

About 3,3-dimethylpyrazolo[3,4-b]pyridine

3,3-dimethylpyrazolo[3,4-b]pyridine (PubChem CID 90929047) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 3,3-dimethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3,3-dimethylpyrazolo[3,4-b]pyridine
PubChem CID90929047
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name3,3-dimethylpyrazolo[3,4-b]pyridine
SMILESCC1(C)N=Nc2ncccc21
InChIInChI=1S/C8H9N3/c1-8(2)6-4-3-5-9-7(6)10-11-8/h3-5H,1-2H3
InChIKeyNKYKCKRPZFAHJA-UHFFFAOYSA-N
XLogP2.41
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpyrazolo[3,4-b]pyridine?
The IUPAC name of 3,3-dimethylpyrazolo[3,4-b]pyridine (CID 90929047) is 3,3-dimethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3,3-dimethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 3,3-dimethylpyrazolo[3,4-b]pyridine is CC1(C)N=Nc2ncccc21.
What is the InChIKey of 3,3-dimethylpyrazolo[3,4-b]pyridine?
The InChIKey is NKYKCKRPZFAHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-8(2)6-4-3-5-9-7(6)10-11-8/h3-5H,1-2H3.
What are the key properties of 3,3-dimethylpyrazolo[3,4-b]pyridine?
3,3-dimethylpyrazolo[3,4-b]pyridine has a molecular weight of 147.18 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 90929047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).