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

C9H13F2N3O2 — CID 177241817

IUPACethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
SMILESCCOC(=O)CNc1cnn(CC(F)F)c1
InChIInChI=1S/C9H13F2N3O2/c1-2-16-9(15)4-12-7-3-13-14(5-7)6-8(10)11/h3,5,8,12H,2,4,6H2,1H3
InChIKeyPCJWOEFZBOMHTH-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.12
Rot. Bonds6

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

ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate (PubChem CID 177241817) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
PubChem CID177241817
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Nameethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
SMILESCCOC(=O)CNc1cnn(CC(F)F)c1
InChIInChI=1S/C9H13F2N3O2/c1-2-16-9(15)4-12-7-3-13-14(5-7)6-8(10)11/h3,5,8,12H,2,4,6H2,1H3
InChIKeyPCJWOEFZBOMHTH-UHFFFAOYSA-N
XLogP1.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 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

methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 154881995
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796
N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide
CID 86791911
methyl 2-[[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]amino]acetate
CID 154881969
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
methyl 4-chloro-3-[[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]methyl]benzoate
CID 126808754
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95899266
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanone
CID 62728179
1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167550
1-(2,2-difluoroethyl)-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 25247606

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate (CID 177241817) is ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate is CCOC(=O)CNc1cnn(CC(F)F)c1.
What is the InChIKey of ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate?
The InChIKey is PCJWOEFZBOMHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-2-16-9(15)4-12-7-3-13-14(5-7)6-8(10)11/h3,5,8,12H,2,4,6H2,1H3.
What are the key properties of ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate?
ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate has a molecular weight of 233.22 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate is sourced from PubChem (CID 177241817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).