ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate

C8H11F2N3O2 — CID 97298350

IUPACethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(CC(F)F)nc1N
InChIInChI=1S/C8H11F2N3O2/c1-2-15-8(14)5-3-13(4-6(9)10)12-7(5)11/h3,6H,2,4H2,1H3,(H2,11,12)
InChIKeyTUPHLWIONCYQAF-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.91
Rot. Bonds4

About ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate

ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate (PubChem CID 97298350) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate
PubChem CID97298350
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Nameethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(CC(F)F)nc1N
InChIInChI=1S/C8H11F2N3O2/c1-2-15-8(14)5-3-13(4-6(9)10)12-7(5)11/h3,6H,2,4H2,1H3,(H2,11,12)
InChIKeyTUPHLWIONCYQAF-UHFFFAOYSA-N
XLogP0.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate 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 4-chloro-1-(2,2-difluoroethyl)pyrazole-3-carboxylate
CID 122170798
3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
CID 146680558
ethyl 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 23088347
ethyl 1-(2,2-difluoroethyl)-4-nitropyrazole-3-carboxylate
CID 122170828
ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
CID 123601486
3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
CID 146680555
ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
CID 23113343
methyl 1-(2,2-difluoroethyl)-3-nitropyrazole-4-carboxylate
CID 132586331
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832
ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 177241817
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate (CID 97298350) is ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate is CCOC(=O)c1cn(CC(F)F)nc1N.
What is the InChIKey of ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate?
The InChIKey is TUPHLWIONCYQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-2-15-8(14)5-3-13(4-6(9)10)12-7(5)11/h3,6H,2,4H2,1H3,(H2,11,12).
What are the key properties of ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate?
ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate has a molecular weight of 219.19 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 97298350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).