3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid

C8H11FN2O2 — CID 84732778

IUPAC3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid
SMILESCC(F)c1ccnn1CCC(=O)O
InChIInChI=1S/C8H11FN2O2/c1-6(9)7-2-4-10-11(7)5-3-8(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyYJQCIYRCUFTWIJ-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.39
Rot. Bonds4

About 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid

3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid (PubChem CID 84732778) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid
PubChem CID84732778
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid
SMILESCC(F)c1ccnn1CCC(=O)O
InChIInChI=1S/C8H11FN2O2/c1-6(9)7-2-4-10-11(7)5-3-8(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyYJQCIYRCUFTWIJ-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid (CID 84732778) is 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid is CC(F)c1ccnn1CCC(=O)O.
What is the InChIKey of 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is YJQCIYRCUFTWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-6(9)7-2-4-10-11(7)5-3-8(12)13/h2,4,6H,3,5H2,1H3,(H,12,13).
What are the key properties of 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid?
3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 186.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-fluoroethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 84732778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).