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

C9H11N3O3 — CID 20784828

IUPAC5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C9H11N3O3/c1-5(13)12-3-2-7-6(4-12)8(9(14)15)11-10-7/h2-4H2,1H3,(H,10,11)(H,14,15)
InChIKeyFCWAANVMRKGSFE-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.01
Rot. Bonds1

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

5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 20784828) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID20784828
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C9H11N3O3/c1-5(13)12-3-2-7-6(4-12)8(9(14)15)11-10-7/h2-4H2,1H3,(H,10,11)(H,14,15)
InChIKeyFCWAANVMRKGSFE-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 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 20784828) is 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(=O)N1CCc2[nH]nc(C(=O)O)c2C1.
What is the InChIKey of 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is FCWAANVMRKGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5(13)12-3-2-7-6(4-12)8(9(14)15)11-10-7/h2-4H2,1H3,(H,10,11)(H,14,15).
What are the key properties of 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-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 5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 20784828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).