2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid

C12H13F3N4O2 — CID 104729804

IUPAC2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
SMILESCC(Nc1nccn2nc(C(F)(F)F)cc12)C(C)C(=O)O
InChIInChI=1S/C12H13F3N4O2/c1-6(11(20)21)7(2)17-10-8-5-9(12(13,14)15)18-19(8)4-3-16-10/h3-7H,1-2H3,(H,16,17)(H,20,21)
InChIKeyAHSLRJGYJRCICP-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid

2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid (PubChem CID 104729804) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
PubChem CID104729804
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC Name2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
SMILESCC(Nc1nccn2nc(C(F)(F)F)cc12)C(C)C(=O)O
InChIInChI=1S/C12H13F3N4O2/c1-6(11(20)21)7(2)17-10-8-5-9(12(13,14)15)18-19(8)4-3-16-10/h3-7H,1-2H3,(H,16,17)(H,20,21)
InChIKeyAHSLRJGYJRCICP-UHFFFAOYSA-N
XLogP2.27
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626
2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid
CID 104729415
4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
CID 104734344
1-N,1-N-dimethyl-2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104732002
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
CID 104734259
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N,N-dimethylpropanamide
CID 104731043
1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 104729723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid?
The IUPAC name of 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid (CID 104729804) is 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid?
The canonical SMILES for 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid is CC(Nc1nccn2nc(C(F)(F)F)cc12)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid?
The InChIKey is AHSLRJGYJRCICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c1-6(11(20)21)7(2)17-10-8-5-9(12(13,14)15)18-19(8)4-3-16-10/h3-7H,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid?
2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid has a molecular weight of 302.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid is sourced from PubChem (CID 104729804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).