ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate

C10H12F3N3O3 — CID 60812044

IUPACethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-2-19-9(18)5-14-8(17)6-16-4-3-7(15-16)10(11,12)13/h3-4H,2,5-6H2,1H3,(H,14,17)
InChIKeyKJEVQEFHTCXZPY-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.58
Rot. Bonds5

About ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate

ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (PubChem CID 60812044) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
PubChem CID60812044
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Nameethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-2-19-9(18)5-14-8(17)6-16-4-3-7(15-16)10(11,12)13/h3-4H,2,5-6H2,1H3,(H,14,17)
InChIKeyKJEVQEFHTCXZPY-UHFFFAOYSA-N
XLogP0.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
ethyl 2-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19530829
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 102914804
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
3-methyl-2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]butanoic acid
CID 65220362
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 34486049
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19530772
propan-2-yl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 60643569
N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 60668203

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (CID 60812044) is ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The InChIKey is KJEVQEFHTCXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-2-19-9(18)5-14-8(17)6-16-4-3-7(15-16)10(11,12)13/h3-4H,2,5-6H2,1H3,(H,14,17).
What are the key properties of ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate has a molecular weight of 279.22 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 60812044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).