3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid

C12H11FN2O2 — CID 116818168

IUPAC3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1ccn(-c2ccccc2F)n1
InChIInChI=1S/C12H11FN2O2/c13-10-3-1-2-4-11(10)15-8-7-9(14-15)5-6-12(16)17/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyKVKSWBPTJHPPPI-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.03
Rot. Bonds4

About 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid

3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid (PubChem CID 116818168) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid
PubChem CID116818168
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1ccn(-c2ccccc2F)n1
InChIInChI=1S/C12H11FN2O2/c13-10-3-1-2-4-11(10)15-8-7-9(14-15)5-6-12(16)17/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyKVKSWBPTJHPPPI-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid (CID 116818168) is 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid is O=C(O)CCc1ccn(-c2ccccc2F)n1.
What is the InChIKey of 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid?
The InChIKey is KVKSWBPTJHPPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-3-1-2-4-11(10)15-8-7-9(14-15)5-6-12(16)17/h1-4,7-8H,5-6H2,(H,16,17).
What are the key properties of 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid?
3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid has a molecular weight of 234.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 116818168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).