2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid

C8H8F3N3O3 — CID 68590137

IUPAC2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
SMILESCn1cc(C(=O)NCC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O3/c1-14-3-4(6(13-14)8(9,10)11)7(17)12-2-5(15)16/h3H,2H2,1H3,(H,12,17)(H,15,16)
InChIKeyQQJROFXBYBLDNB-UHFFFAOYSA-N
MW251.16 g/mol
LogP0.25
Rot. Bonds3

About 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid

2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid (PubChem CID 68590137) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
PubChem CID68590137
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
SMILESCn1cc(C(=O)NCC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O3/c1-14-3-4(6(13-14)8(9,10)11)7(17)12-2-5(15)16/h3H,2H2,1H3,(H,12,17)(H,15,16)
InChIKeyQQJROFXBYBLDNB-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]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-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid (CID 68590137) is 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid is Cn1cc(C(=O)NCC(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid?
The InChIKey is QQJROFXBYBLDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-14-3-4(6(13-14)8(9,10)11)7(17)12-2-5(15)16/h3H,2H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid?
2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid has a molecular weight of 251.16 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 68590137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).