2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3N3O3 — CID 79258710

IUPAC2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCn1cc(C(=O)N(CC(=O)O)CC(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O3/c1-14-3-6(2-13-14)8(18)15(4-7(16)17)5-9(10,11)12/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyXUQVGDOCSHNLJA-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.51
Rot. Bonds4

About 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258710) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258710
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCn1cc(C(=O)N(CC(=O)O)CC(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O3/c1-14-3-6(2-13-14)8(18)15(4-7(16)17)5-9(10,11)12/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyXUQVGDOCSHNLJA-UHFFFAOYSA-N
XLogP0.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258710) is 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cn1cc(C(=O)N(CC(=O)O)CC(F)(F)F)cn1.
What is the InChIKey of 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XUQVGDOCSHNLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-14-3-6(2-13-14)8(18)15(4-7(16)17)5-9(10,11)12/h2-3H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 265.19 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).