3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one

C13H11N3O — CID 15832607

IUPAC3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESO=c1[nH]ccc2c(Cc3ccccc3)[nH]nc12
InChIInChI=1S/C13H11N3O/c17-13-12-10(6-7-14-13)11(15-16-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyPGNKIBGUCNSFMJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.84
Rot. Bonds2

About 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one

3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 15832607) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID15832607
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESO=c1[nH]ccc2c(Cc3ccccc3)[nH]nc12
InChIInChI=1S/C13H11N3O/c17-13-12-10(6-7-14-13)11(15-16-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyPGNKIBGUCNSFMJ-UHFFFAOYSA-N
XLogP1.84
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one (CID 15832607) is 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one is O=c1[nH]ccc2c(Cc3ccccc3)[nH]nc12.
What is the InChIKey of 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is PGNKIBGUCNSFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-12-10(6-7-14-13)11(15-16-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16).
What are the key properties of 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 225.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 15832607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).