1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine

C8H12F3N3 — CID 64566976

IUPAC1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11/h4-6H,2-3,12H2,1H3
InChIKeyJAHQGBNDZWLGON-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.86
Rot. Bonds3

About 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine

1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine (PubChem CID 64566976) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine
PubChem CID64566976
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11/h4-6H,2-3,12H2,1H3
InChIKeyJAHQGBNDZWLGON-UHFFFAOYSA-N
XLogP1.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine (CID 64566976) is 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine is CC(N)c1cnn(CCC(F)(F)F)c1.
What is the InChIKey of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine?
The InChIKey is JAHQGBNDZWLGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11/h4-6H,2-3,12H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine?
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 64566976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).