2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid

C12H11FN2O2 — CID 102547350

IUPAC2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(-c2ccccc2F)cn1
InChIInChI=1S/C12H11FN2O2/c1-8(12(16)17)15-7-9(6-14-15)10-4-2-3-5-11(10)13/h2-8H,1H3,(H,16,17)
InChIKeyFZNLIWJXVCYGEP-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.33
Rot. Bonds3

About 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid

2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid (PubChem CID 102547350) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
PubChem CID102547350
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(-c2ccccc2F)cn1
InChIInChI=1S/C12H11FN2O2/c1-8(12(16)17)15-7-9(6-14-15)10-4-2-3-5-11(10)13/h2-8H,1H3,(H,16,17)
InChIKeyFZNLIWJXVCYGEP-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid (CID 102547350) is 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(-c2ccccc2F)cn1.
What is the InChIKey of 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid?
The InChIKey is FZNLIWJXVCYGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8(12(16)17)15-7-9(6-14-15)10-4-2-3-5-11(10)13/h2-8H,1H3,(H,16,17).
What are the key properties of 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid?
2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid has a molecular weight of 234.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 102547350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).