2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride

C6H9ClF3N3 — CID 167737191

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride
SMILESCl.NCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3.ClH/c7-6(8,9)5-4(1-2-10)3-11-12-5;/h3H,1-2,10H2,(H,11,12);1H
InChIKeyICGKHGJTAGFCNZ-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.35
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride

2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride (PubChem CID 167737191) has the molecular formula C6H9ClF3N3 and a molecular weight of 215.61 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride
PubChem CID167737191
Molecular FormulaC6H9ClF3N3
Molecular Weight215.61 g/mol
Exact Mass215.04
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride
SMILESCl.NCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3.ClH/c7-6(8,9)5-4(1-2-10)3-11-12-5;/h3H,1-2,10H2,(H,11,12);1H
InChIKeyICGKHGJTAGFCNZ-UHFFFAOYSA-N
XLogP1.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride (CID 167737191) is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride is Cl.NCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride?
The InChIKey is ICGKHGJTAGFCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3.ClH/c7-6(8,9)5-4(1-2-10)3-11-12-5;/h3H,1-2,10H2,(H,11,12);1H.
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride?
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride has a molecular weight of 215.61 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 167737191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).