1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

C9H9F3N4 — CID 84726232

IUPAC1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESCC(N)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H9F3N4/c1-5(13)7-3-15-16-4-6(9(10,11)12)2-14-8(7)16/h2-5H,13H2,1H3
InChIKeyYXPITDJCIYSECV-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.77
Rot. Bonds1

About 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (PubChem CID 84726232) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
PubChem CID84726232
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESCC(N)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H9F3N4/c1-5(13)7-3-15-16-4-6(9(10,11)12)2-14-8(7)16/h2-5H,13H2,1H3
InChIKeyYXPITDJCIYSECV-UHFFFAOYSA-N
XLogP1.77
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine 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

N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
1-methyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221090
1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221087
2-(Propan-2-yl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 240823
N-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221089
5-ethyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]-2-methylpyrimidin-4-amine
CID 50978867
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 86276682
(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
CID 170397322
(11S)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
CID 170591919

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The IUPAC name of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (CID 84726232) is 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The canonical SMILES for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is CC(N)c1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The InChIKey is YXPITDJCIYSECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-5(13)7-3-15-16-4-6(9(10,11)12)2-14-8(7)16/h2-5H,13H2,1H3.
What are the key properties of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine has a molecular weight of 230.19 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is sourced from PubChem (CID 84726232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).