2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine

C6H8F3N3 — CID 43662220

IUPAC2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccn[nH]1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)4-10-3-5-1-2-11-12-5/h1-2,10H,3-4H2,(H,11,12)
InChIKeyYMARXTBGXAJPTA-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.06
Rot. Bonds3

About 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 43662220) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID43662220
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccn[nH]1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)4-10-3-5-1-2-11-12-5/h1-2,10H,3-4H2,(H,11,12)
InChIKeyYMARXTBGXAJPTA-UHFFFAOYSA-N
XLogP1.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 43662220) is 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine is FC(F)(F)CNCc1ccn[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is YMARXTBGXAJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)4-10-3-5-1-2-11-12-5/h1-2,10H,3-4H2,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 179.15 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 43662220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).