ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate

C8H11FN2O3 — CID 123567145

IUPACethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(C)c(F)c1=O
InChIInChI=1S/C8H11FN2O3/c1-3-14-6(12)4-11-8(13)7(9)5(2)10-11/h10H,3-4H2,1-2H3
InChIKeyMINVOFFMCOOHJO-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.19
Rot. Bonds3

About ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate

ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate (PubChem CID 123567145) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
PubChem CID123567145
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(C)c(F)c1=O
InChIInChI=1S/C8H11FN2O3/c1-3-14-6(12)4-11-8(13)7(9)5(2)10-11/h10H,3-4H2,1-2H3
InChIKeyMINVOFFMCOOHJO-UHFFFAOYSA-N
XLogP0.19
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)acetate
CID 21501940
Ethyl 2-[5-hydroxy-3-(trifluoromethyl)pyrazolyl]acetate
CID 4766909
ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate
CID 66022558
ethyl 2-[4-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]acetate
CID 66022764
2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 84038913
methyl 2-(5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 121214251
methyl 2-(5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate
CID 121214252
methyl (2S)-2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]propanoate
CID 129504629
methyl (2R)-2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]propanoate
CID 129504630
Ethyl 4-fluoro-3-hydroxy-1-methyl-1h-pyrazole-5-carboxylate
CID 164664243
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
CID 20295815
ethyl 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate (CID 123567145) is ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate is CCOC(=O)Cn1[nH]c(C)c(F)c1=O.
What is the InChIKey of ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The InChIKey is MINVOFFMCOOHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-3-14-6(12)4-11-8(13)7(9)5(2)10-11/h10H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate has a molecular weight of 202.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate is sourced from PubChem (CID 123567145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).