2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride

C6H9ClF3N3 — CID 90482923

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride
SMILESCl.NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3.ClH/c7-6(8,9)5-1-3-12(11-5)4-2-10;/h1,3H,2,4,10H2;1H
InChIKeyDBPQCVYPZCGBTN-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.28
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride

2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride (PubChem CID 90482923) has the molecular formula C6H9ClF3N3 and a molecular weight of 215.61 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride
PubChem CID90482923
Molecular FormulaC6H9ClF3N3
Molecular Weight215.61 g/mol
Exact Mass215.04
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride
SMILESCl.NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3.ClH/c7-6(8,9)5-1-3-12(11-5)4-2-10;/h1,3H,2,4,10H2;1H
InChIKeyDBPQCVYPZCGBTN-UHFFFAOYSA-N
XLogP1.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride (CID 90482923) is 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride is Cl.NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride?
The InChIKey is DBPQCVYPZCGBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3.ClH/c7-6(8,9)5-1-3-12(11-5)4-2-10;/h1,3H,2,4,10H2;1H.
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride?
2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride has a molecular weight of 215.61 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine;hydrochloride is sourced from PubChem (CID 90482923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).