6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid

C9H8F3N3O3 — CID 167729246

IUPAC6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C(F)(F)F)Cc2[nH]ncc21
InChIInChI=1S/C9H8F3N3O3/c10-9(11,12)8(18)15-2-5(7(16)17)4-1-13-14-6(4)3-15/h1,5H,2-3H2,(H,13,14)(H,16,17)
InChIKeyKKOMZSFTZUQOEV-UHFFFAOYSA-N
MW263.17 g/mol
LogP0.48
Rot. Bonds1

About 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid

6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid (PubChem CID 167729246) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.17 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid
PubChem CID167729246
Molecular FormulaC9H8F3N3O3
Molecular Weight263.17 g/mol
Exact Mass263.05
IUPAC Name6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C(F)(F)F)Cc2[nH]ncc21
InChIInChI=1S/C9H8F3N3O3/c10-9(11,12)8(18)15-2-5(7(16)17)4-1-13-14-6(4)3-15/h1,5H,2-3H2,(H,13,14)(H,16,17)
InChIKeyKKOMZSFTZUQOEV-UHFFFAOYSA-N
XLogP0.48
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid?
The IUPAC name of 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid (CID 167729246) is 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid is O=C(O)C1CN(C(=O)C(F)(F)F)Cc2[nH]ncc21.
What is the InChIKey of 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid?
The InChIKey is KKOMZSFTZUQOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c10-9(11,12)8(18)15-2-5(7(16)17)4-1-13-14-6(4)3-15/h1,5H,2-3H2,(H,13,14)(H,16,17).
What are the key properties of 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid?
6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid has a molecular weight of 263.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 167729246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).