2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid

C11H9FN2O3 — CID 83896960

IUPAC2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2F)[nH]c1=O
InChIInChI=1S/C11H9FN2O3/c12-8-3-1-2-4-9(8)14-6-7(5-10(15)16)11(17)13-14/h1-4,6H,5H2,(H,13,17)(H,15,16)
InChIKeyNLAFTCQDGMYFNF-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.93
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid

2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid (PubChem CID 83896960) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
PubChem CID83896960
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2F)[nH]c1=O
InChIInChI=1S/C11H9FN2O3/c12-8-3-1-2-4-9(8)14-6-7(5-10(15)16)11(17)13-14/h1-4,6H,5H2,(H,13,17)(H,15,16)
InChIKeyNLAFTCQDGMYFNF-UHFFFAOYSA-N
XLogP0.93
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid
CID 12887030
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2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
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4-(3-aminopropyl)-2-(2-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
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2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4855046
4-(2-aminoethyl)-2-(4-fluorophenyl)-1H-pyrazol-5-one
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CID 20994315
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid (CID 83896960) is 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid is O=C(O)Cc1cn(-c2ccccc2F)[nH]c1=O.
What is the InChIKey of 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid?
The InChIKey is NLAFTCQDGMYFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-3-1-2-4-9(8)14-6-7(5-10(15)16)11(17)13-14/h1-4,6H,5H2,(H,13,17)(H,15,16).
What are the key properties of 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid?
2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid has a molecular weight of 236.20 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 83896960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).