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

C12H13F3N4O2 — CID 104729355

IUPAC2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid
SMILESCCCC(Nc1nccn2nc(C(F)(F)F)cc12)C(=O)O
InChIInChI=1S/C12H13F3N4O2/c1-2-3-7(11(20)21)17-10-8-6-9(12(13,14)15)18-19(8)5-4-16-10/h4-7H,2-3H2,1H3,(H,16,17)(H,20,21)
InChIKeyGUGFMZSDFOHHEI-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.41
Rot. Bonds5

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

2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid (PubChem CID 104729355) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid
PubChem CID104729355
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC Name2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid
SMILESCCCC(Nc1nccn2nc(C(F)(F)F)cc12)C(=O)O
InChIInChI=1S/C12H13F3N4O2/c1-2-3-7(11(20)21)17-10-8-6-9(12(13,14)15)18-19(8)5-4-16-10/h4-7H,2-3H2,1H3,(H,16,17)(H,20,21)
InChIKeyGUGFMZSDFOHHEI-UHFFFAOYSA-N
XLogP2.41
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
CID 104729804
N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106231560
N,N-dimethyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanamide
CID 104731044
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
CID 104729773
2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid
CID 104729415
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626
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-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid (CID 104729355) is 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid is CCCC(Nc1nccn2nc(C(F)(F)F)cc12)C(=O)O.
What is the InChIKey of 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid?
The InChIKey is GUGFMZSDFOHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c1-2-3-7(11(20)21)17-10-8-6-9(12(13,14)15)18-19(8)5-4-16-10/h4-7H,2-3H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid?
2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid has a molecular weight of 302.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid is sourced from PubChem (CID 104729355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).