ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate

C8H10F2N2O3 — CID 66022558

IUPACethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate
SMILESCCOC(=O)Cn1[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H10F2N2O3/c1-2-15-7(14)4-12-6(13)3-5(11-12)8(9)10/h3,8,11H,2,4H2,1H3
InChIKeySCYWIDZSUQSIRH-UHFFFAOYSA-N
MW220.17 g/mol
LogP0.68
Rot. Bonds4

About ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate

ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate (PubChem CID 66022558) has the molecular formula C8H10F2N2O3 and a molecular weight of 220.17 g/mol. Its IUPAC name is ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate
PubChem CID66022558
Molecular FormulaC8H10F2N2O3
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Nameethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate
SMILESCCOC(=O)Cn1[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H10F2N2O3/c1-2-15-7(14)4-12-6(13)3-5(11-12)8(9)10/h3,8,11H,2,4H2,1H3
InChIKeySCYWIDZSUQSIRH-UHFFFAOYSA-N
XLogP0.68
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate 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 ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate (CID 66022558) is ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate is CCOC(=O)Cn1[nH]c(C(F)F)cc1=O.
What is the InChIKey of ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate?
The InChIKey is SCYWIDZSUQSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3/c1-2-15-7(14)4-12-6(13)3-5(11-12)8(9)10/h3,8,11H,2,4H2,1H3.
What are the key properties of ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate?
ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate has a molecular weight of 220.17 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate is sourced from PubChem (CID 66022558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).