2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

C7H10F3N3 — CID 61318545

IUPAC2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H10F3N3/c1-5-2-6(13-12-5)3-11-4-7(8,9)10/h2,11H,3-4H2,1H3,(H,12,13)
InChIKeyBYINLIXNIXGFDB-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.37
Rot. Bonds3

About 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (PubChem CID 61318545) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
PubChem CID61318545
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H10F3N3/c1-5-2-6(13-12-5)3-11-4-7(8,9)10/h2,11H,3-4H2,1H3,(H,12,13)
InChIKeyBYINLIXNIXGFDB-UHFFFAOYSA-N
XLogP1.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.37
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-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (CID 61318545) is 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is Cc1cc(CNCC(F)(F)F)n[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The InChIKey is BYINLIXNIXGFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-5-2-6(13-12-5)3-11-4-7(8,9)10/h2,11H,3-4H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine has a molecular weight of 193.17 g/mol, XLogP of 1.37, 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-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 61318545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).