methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate

C8H11F2N3O2 — CID 154881995

IUPACmethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
SMILESCOC(=O)CNc1cnn(CC(F)F)c1
InChIInChI=1S/C8H11F2N3O2/c1-15-8(14)3-11-6-2-12-13(4-6)5-7(9)10/h2,4,7,11H,3,5H2,1H3
InChIKeyDAWJIZPQVUIMDV-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.73
Rot. Bonds5

About methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate

methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate (PubChem CID 154881995) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
PubChem CID154881995
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Namemethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
SMILESCOC(=O)CNc1cnn(CC(F)F)c1
InChIInChI=1S/C8H11F2N3O2/c1-15-8(14)3-11-6-2-12-13(4-6)5-7(9)10/h2,4,7,11H,3,5H2,1H3
InChIKeyDAWJIZPQVUIMDV-UHFFFAOYSA-N
XLogP0.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]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

ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 177241817
methyl 2-[[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]amino]acetate
CID 154881969
N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide
CID 86791911
methyl 4-chloro-3-[[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]methyl]benzoate
CID 126808754
1-(2,2-difluoroethyl)-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 25247606
2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid
CID 154882062
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926554
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanone
CID 62728179
N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide
CID 75387716

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate (CID 154881995) is methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate is COC(=O)CNc1cnn(CC(F)F)c1.
What is the InChIKey of methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate?
The InChIKey is DAWJIZPQVUIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-15-8(14)3-11-6-2-12-13(4-6)5-7(9)10/h2,4,7,11H,3,5H2,1H3.
What are the key properties of methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate?
methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate has a molecular weight of 219.19 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate is sourced from PubChem (CID 154881995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).