2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid

C7H8F3N3O2 — CID 83891017

IUPAC2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid
SMILESNC(C(=O)O)c1ccnn1CC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)3-13-4(1-2-12-13)5(11)6(14)15/h1-2,5H,3,11H2,(H,14,15)
InChIKeyFLSBONLMVJEYOA-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.53
Rot. Bonds3

About 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid

2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid (PubChem CID 83891017) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid
PubChem CID83891017
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid
SMILESNC(C(=O)O)c1ccnn1CC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)3-13-4(1-2-12-13)5(11)6(14)15/h1-2,5H,3,11H2,(H,14,15)
InChIKeyFLSBONLMVJEYOA-UHFFFAOYSA-N
XLogP0.53
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid (CID 83891017) is 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid is NC(C(=O)O)c1ccnn1CC(F)(F)F.
What is the InChIKey of 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid?
The InChIKey is FLSBONLMVJEYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)3-13-4(1-2-12-13)5(11)6(14)15/h1-2,5H,3,11H2,(H,14,15).
What are the key properties of 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid?
2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid has a molecular weight of 223.15 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 83891017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).