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

C12H11F3N4O2 — CID 104729723

IUPAC1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Nc2nccn3nc(C(F)(F)F)cc23)CCC1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)8-6-7-9(16-4-5-19(7)18-8)17-11(10(20)21)2-1-3-11/h4-6H,1-3H2,(H,16,17)(H,20,21)
InChIKeyUINXZEZDUKHDQO-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.17
Rot. Bonds3

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

1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid (PubChem CID 104729723) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid
PubChem CID104729723
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Nc2nccn3nc(C(F)(F)F)cc23)CCC1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)8-6-7-9(16-4-5-19(7)18-8)17-11(10(20)21)2-1-3-11/h4-6H,1-3H2,(H,16,17)(H,20,21)
InChIKeyUINXZEZDUKHDQO-UHFFFAOYSA-N
XLogP2.17
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Related Compounds

2-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 106215074
2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid
CID 104729415
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
N-cyclopentyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730383
2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
CID 104729804
N-[(3-chlorocyclobutyl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734009
3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol
CID 104731784
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
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine
CID 104732329
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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid (CID 104729723) is 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid is O=C(O)C1(Nc2nccn3nc(C(F)(F)F)cc23)CCC1.
What is the InChIKey of 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is UINXZEZDUKHDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)8-6-7-9(16-4-5-19(7)18-8)17-11(10(20)21)2-1-3-11/h4-6H,1-3H2,(H,16,17)(H,20,21).
What are the key properties of 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 300.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 104729723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).