2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid

C12H11FN2O2 — CID 114993824

IUPAC2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1F)n1cccn1
InChIInChI=1S/C12H11FN2O2/c1-12(11(16)17,15-8-4-7-14-15)9-5-2-3-6-10(9)13/h2-8H,1H3,(H,16,17)
InChIKeyPMEKIDSAQWMIED-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.87
Rot. Bonds3

About 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid

2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid (PubChem CID 114993824) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid
PubChem CID114993824
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1F)n1cccn1
InChIInChI=1S/C12H11FN2O2/c1-12(11(16)17,15-8-4-7-14-15)9-5-2-3-6-10(9)13/h2-8H,1H3,(H,16,17)
InChIKeyPMEKIDSAQWMIED-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid (CID 114993824) is 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid is CC(C(=O)O)(c1ccccc1F)n1cccn1.
What is the InChIKey of 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid?
The InChIKey is PMEKIDSAQWMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-12(11(16)17,15-8-4-7-14-15)9-5-2-3-6-10(9)13/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid?
2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid has a molecular weight of 234.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid is sourced from PubChem (CID 114993824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).