6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid

C9H11N3O3 — CID 110447010

IUPAC6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCc2c(C(=O)O)n[nH]c2C1
InChIInChI=1S/C9H11N3O3/c1-5(13)12-3-2-6-7(4-12)10-11-8(6)9(14)15/h2-4H2,1H3,(H,10,11)(H,14,15)
InChIKeyGCOXIJFMKRMBDS-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.01
Rot. Bonds1

About 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid

6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 110447010) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID110447010
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCc2c(C(=O)O)n[nH]c2C1
InChIInChI=1S/C9H11N3O3/c1-5(13)12-3-2-6-7(4-12)10-11-8(6)9(14)15/h2-4H2,1H3,(H,10,11)(H,14,15)
InChIKeyGCOXIJFMKRMBDS-UHFFFAOYSA-N
XLogP0.01
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 110447010) is 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid is CC(=O)N1CCc2c(C(=O)O)n[nH]c2C1.
What is the InChIKey of 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is GCOXIJFMKRMBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5(13)12-3-2-6-7(4-12)10-11-8(6)9(14)15/h2-4H2,1H3,(H,10,11)(H,14,15).
What are the key properties of 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 110447010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).