6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C9H13N3O2 — CID 91046694

IUPAC6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCC(=O)N1CCc2c([nH]n(C)c2=O)C1
InChIInChI=1S/C9H13N3O2/c1-6(13)12-4-3-7-8(5-12)10-11(2)9(7)14/h10H,3-5H2,1-2H3
InChIKeyQVDIXYLTAQSJFJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.38
Rot. Bonds

About 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 91046694) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID91046694
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCC(=O)N1CCc2c([nH]n(C)c2=O)C1
InChIInChI=1S/C9H13N3O2/c1-6(13)12-4-3-7-8(5-12)10-11(2)9(7)14/h10H,3-5H2,1-2H3
InChIKeyQVDIXYLTAQSJFJ-UHFFFAOYSA-N
XLogP-0.38
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 91046694) is 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is CC(=O)N1CCc2c([nH]n(C)c2=O)C1.
What is the InChIKey of 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is QVDIXYLTAQSJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(13)12-4-3-7-8(5-12)10-11(2)9(7)14/h10H,3-5H2,1-2H3.
What are the key properties of 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 195.22 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-methyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 91046694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).