1-benzyl-3-methylpyrazolo[5,4-b]pyridine

C14H13N3 — CID 778693

IUPAC1-benzyl-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2)c2ncccc12
InChIInChI=1S/C14H13N3/c1-11-13-8-5-9-15-14(13)17(16-11)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyGLYFDIZBHQMLAU-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.79
Rot. Bonds2

About 1-benzyl-3-methylpyrazolo[5,4-b]pyridine

1-benzyl-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 778693) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-benzyl-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-3-methylpyrazolo[5,4-b]pyridine
PubChem CID778693
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-benzyl-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2)c2ncccc12
InChIInChI=1S/C14H13N3/c1-11-13-8-5-9-15-14(13)17(16-11)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyGLYFDIZBHQMLAU-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-3-methylpyrazolo[5,4-b]pyridine (CID 778693) is 1-benzyl-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(Cc2ccccc2)c2ncccc12.
What is the InChIKey of 1-benzyl-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is GLYFDIZBHQMLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-13-8-5-9-15-14(13)17(16-11)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-benzyl-3-methylpyrazolo[5,4-b]pyridine?
1-benzyl-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 223.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 778693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).