3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid

C12H11FN2O2 — CID 39096208

IUPAC3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2/c13-10-4-1-8(2-5-10)12-9(7-14-15-12)3-6-11(16)17/h1-2,4-5,7H,3,6H2,(H,14,15)(H,16,17)
InChIKeyNPRFEFPLPRJCME-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.23
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid

3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid (PubChem CID 39096208) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
PubChem CID39096208
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2/c13-10-4-1-8(2-5-10)12-9(7-14-15-12)3-6-11(16)17/h1-2,4-5,7H,3,6H2,(H,14,15)(H,16,17)
InChIKeyNPRFEFPLPRJCME-UHFFFAOYSA-N
XLogP2.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid (CID 39096208) is 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid is O=C(O)CCc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid?
The InChIKey is NPRFEFPLPRJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-4-1-8(2-5-10)12-9(7-14-15-12)3-6-11(16)17/h1-2,4-5,7H,3,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid?
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid has a molecular weight of 234.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 39096208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).