2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H16F3N3O2 — CID 79265736

IUPAC2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nn(C)cc1C(C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7-9(4-16(3)15-7)8(2)17(5-10(18)19)6-11(12,13)14/h4,8H,5-6H2,1-3H3,(H,18,19)
InChIKeyUGDHWLYLZJSEJM-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.74
Rot. Bonds5

About 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265736) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265736
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nn(C)cc1C(C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7-9(4-16(3)15-7)8(2)17(5-10(18)19)6-11(12,13)14/h4,8H,5-6H2,1-3H3,(H,18,19)
InChIKeyUGDHWLYLZJSEJM-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265736) is 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1nn(C)cc1C(C)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UGDHWLYLZJSEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7-9(4-16(3)15-7)8(2)17(5-10(18)19)6-11(12,13)14/h4,8H,5-6H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 279.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).