2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

C10H11F3N4 — CID 55237538

IUPAC2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCc1cc2ncc(CNCC(F)(F)F)cn2n1
InChIInChI=1S/C10H11F3N4/c1-7-2-9-15-4-8(5-17(9)16-7)3-14-6-10(11,12)13/h2,4-5,14H,3,6H2,1H3
InChIKeyZNROVMXOMXGNKL-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.69
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (PubChem CID 55237538) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
PubChem CID55237538
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCc1cc2ncc(CNCC(F)(F)F)cn2n1
InChIInChI=1S/C10H11F3N4/c1-7-2-9-15-4-8(5-17(9)16-7)3-14-6-10(11,12)13/h2,4-5,14H,3,6H2,1H3
InChIKeyZNROVMXOMXGNKL-UHFFFAOYSA-N
XLogP1.69
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (CID 55237538) is 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is Cc1cc2ncc(CNCC(F)(F)F)cn2n1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The InChIKey is ZNROVMXOMXGNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-7-2-9-15-4-8(5-17(9)16-7)3-14-6-10(11,12)13/h2,4-5,14H,3,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine has a molecular weight of 244.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is sourced from PubChem (CID 55237538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).