3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid

C6H7FN2O2 — CID 115012338

IUPAC3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cn[nH]c1F
InChIInChI=1S/C6H7FN2O2/c7-6-4(3-8-9-6)1-2-5(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
InChIKeyMMJMMDIDODUXHK-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.57
Rot. Bonds3

About 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid

3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid (PubChem CID 115012338) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid
PubChem CID115012338
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cn[nH]c1F
InChIInChI=1S/C6H7FN2O2/c7-6-4(3-8-9-6)1-2-5(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
InChIKeyMMJMMDIDODUXHK-UHFFFAOYSA-N
XLogP0.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid (CID 115012338) is 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid is O=C(O)CCc1cn[nH]c1F.
What is the InChIKey of 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is MMJMMDIDODUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-6-4(3-8-9-6)1-2-5(10)11/h3H,1-2H2,(H,8,9)(H,10,11).
What are the key properties of 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid?
3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 158.13 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 115012338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).