3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid

C11H11F3N4O2 — CID 104729685

IUPAC3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
SMILESCc1cc2c(NC(C)(C(=O)O)C(F)(F)F)nccn2n1
InChIInChI=1S/C11H11F3N4O2/c1-6-5-7-8(15-3-4-18(7)17-6)16-10(2,9(19)20)11(12,13)14/h3-5H,1-2H3,(H,15,16)(H,19,20)
InChIKeyVQYXTRVQLVGITJ-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.86
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid (PubChem CID 104729685) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
PubChem CID104729685
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
SMILESCc1cc2c(NC(C)(C(=O)O)C(F)(F)F)nccn2n1
InChIInChI=1S/C11H11F3N4O2/c1-6-5-7-8(15-3-4-18(7)17-6)16-10(2,9(19)20)11(12,13)14/h3-5H,1-2H3,(H,15,16)(H,19,20)
InChIKeyVQYXTRVQLVGITJ-UHFFFAOYSA-N
XLogP1.86
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic 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 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid (CID 104729685) is 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid is Cc1cc2c(NC(C)(C(=O)O)C(F)(F)F)nccn2n1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The InChIKey is VQYXTRVQLVGITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-6-5-7-8(15-3-4-18(7)17-6)16-10(2,9(19)20)11(12,13)14/h3-5H,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid has a molecular weight of 288.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid is sourced from PubChem (CID 104729685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).