2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid

C11H11F3N4O2 — CID 104729415

IUPAC2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid
SMILESCC(C)(Nc1nccn2nc(C(F)(F)F)cc12)C(=O)O
InChIInChI=1S/C11H11F3N4O2/c1-10(2,9(19)20)16-8-6-5-7(11(12,13)14)17-18(6)4-3-15-8/h3-5H,1-2H3,(H,15,16)(H,19,20)
InChIKeyNXEFRBFSXXAMSK-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid

2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid (PubChem CID 104729415) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid
PubChem CID104729415
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid
SMILESCC(C)(Nc1nccn2nc(C(F)(F)F)cc12)C(=O)O
InChIInChI=1S/C11H11F3N4O2/c1-10(2,9(19)20)16-8-6-5-7(11(12,13)14)17-18(6)4-3-15-8/h3-5H,1-2H3,(H,15,16)(H,19,20)
InChIKeyNXEFRBFSXXAMSK-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446123
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
CID 104729804
1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 104729723
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid
CID 104729413
N,N-dimethyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanamide
CID 104731044
2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid
CID 104729355
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731532
3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 104729685
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid (CID 104729415) is 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid is CC(C)(Nc1nccn2nc(C(F)(F)F)cc12)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid?
The InChIKey is NXEFRBFSXXAMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-10(2,9(19)20)16-8-6-5-7(11(12,13)14)17-18(6)4-3-15-8/h3-5H,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid?
2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid has a molecular weight of 288.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid is sourced from PubChem (CID 104729415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).