2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid

C11H9FN2O2 — CID 54595655

IUPAC2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O2/c12-8-1-3-10(4-2-8)14-6-5-9(13-14)7-11(15)16/h1-6H,7H2,(H,15,16)
InChIKeyKKIHTCNLUMKUPY-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.64
Rot. Bonds3

About 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid

2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid (PubChem CID 54595655) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid
PubChem CID54595655
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O2/c12-8-1-3-10(4-2-8)14-6-5-9(13-14)7-11(15)16/h1-6H,7H2,(H,15,16)
InChIKeyKKIHTCNLUMKUPY-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid (CID 54595655) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid is O=C(O)Cc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid?
The InChIKey is KKIHTCNLUMKUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-8-1-3-10(4-2-8)14-6-5-9(13-14)7-11(15)16/h1-6H,7H2,(H,15,16).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid?
2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid has a molecular weight of 220.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 54595655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).