methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate

C12H11FN2O3 — CID 4962312

IUPACmethyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate
SMILESCOC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C12H11FN2O3/c1-18-12(17)7-9-6-11(16)15(14-9)10-4-2-8(13)3-5-10/h2-6,14H,7H2,1H3
InChIKeyFMABWDMGQGVHHX-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.02
Rot. Bonds3

About methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate

methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate (PubChem CID 4962312) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate
PubChem CID4962312
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Namemethyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate
SMILESCOC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C12H11FN2O3/c1-18-12(17)7-9-6-11(16)15(14-9)10-4-2-8(13)3-5-10/h2-6,14H,7H2,1H3
InChIKeyFMABWDMGQGVHHX-UHFFFAOYSA-N
XLogP1.02
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate?
The IUPAC name of methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate (CID 4962312) is methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate is COC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate?
The InChIKey is FMABWDMGQGVHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-18-12(17)7-9-6-11(16)15(14-9)10-4-2-8(13)3-5-10/h2-6,14H,7H2,1H3.
What are the key properties of methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate?
methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate has a molecular weight of 250.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetate is sourced from PubChem (CID 4962312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).