2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid

C12H11FN2O2 — CID 105494091

IUPAC2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7(12(16)17)10-6-11(15-14-10)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyRBKVVUATQJNLOF-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.40
Rot. Bonds3

About 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid

2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid (PubChem CID 105494091) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
PubChem CID105494091
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7(12(16)17)10-6-11(15-14-10)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyRBKVVUATQJNLOF-UHFFFAOYSA-N
XLogP2.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic 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-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The IUPAC name of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid (CID 105494091) is 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid is CC(C(=O)O)c1cc(-c2cccc(F)c2)n[nH]1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
The InChIKey is RBKVVUATQJNLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7(12(16)17)10-6-11(15-14-10)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid?
2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid has a molecular weight of 234.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 105494091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).