2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride

C7H9ClF3N3O2 — CID 75480514

IUPAC2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride
SMILESCl.NC(Cn1ccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C7H8F3N3O2.ClH/c8-7(9,10)5-1-2-13(12-5)3-4(11)6(14)15;/h1-2,4H,3,11H2,(H,14,15);1H
InChIKeyJQUFDLFWDRCUER-UHFFFAOYSA-N
MW259.62 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride

2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride (PubChem CID 75480514) has the molecular formula C7H9ClF3N3O2 and a molecular weight of 259.62 g/mol. Its IUPAC name is 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride
PubChem CID75480514
Molecular FormulaC7H9ClF3N3O2
Molecular Weight259.62 g/mol
Exact Mass259.03
IUPAC Name2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride
SMILESCl.NC(Cn1ccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C7H8F3N3O2.ClH/c8-7(9,10)5-1-2-13(12-5)3-4(11)6(14)15;/h1-2,4H,3,11H2,(H,14,15);1H
InChIKeyJQUFDLFWDRCUER-UHFFFAOYSA-N
XLogP0.74
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.62
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride (CID 75480514) is 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride is Cl.NC(Cn1ccc(C(F)(F)F)n1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride?
The InChIKey is JQUFDLFWDRCUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2.ClH/c8-7(9,10)5-1-2-13(12-5)3-4(11)6(14)15;/h1-2,4H,3,11H2,(H,14,15);1H.
What are the key properties of 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride?
2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride has a molecular weight of 259.62 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 75480514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).