2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

C9H9F3N4 — CID 84726230

IUPAC2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESNCCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H9F3N4/c10-9(11,12)7-4-14-8-6(1-2-13)3-15-16(8)5-7/h3-5H,1-2,13H2
InChIKeyAGMWFYZLALAMEH-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.25
Rot. Bonds2

About 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (PubChem CID 84726230) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
PubChem CID84726230
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESNCCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H9F3N4/c10-9(11,12)7-4-14-8-6(1-2-13)3-15-16(8)5-7/h3-5H,1-2,13H2
InChIKeyAGMWFYZLALAMEH-UHFFFAOYSA-N
XLogP1.25
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221087
N-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221089
{Pyrazolo[1,5-a]pyrimidin-6-yl}methanamine
CID 63820624
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
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
3,6-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12847959
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 84721400
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
1-methyl-N-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 409421

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The IUPAC name of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (CID 84726230) is 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The canonical SMILES for 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is NCCc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The InChIKey is AGMWFYZLALAMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c10-9(11,12)7-4-14-8-6(1-2-13)3-15-16(8)5-7/h3-5H,1-2,13H2.
What are the key properties of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine has a molecular weight of 230.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is sourced from PubChem (CID 84726230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).