5-fluoro-1H-pyrazole-3-carboxylic acid

C4H3FN2O2 — CID 130299149

IUPAC5-fluoro-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(F)[nH]n1
InChIInChI=1S/C4H3FN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChIKeyLSQNHKORGLHIMY-UHFFFAOYSA-N
MW130.08 g/mol
LogP0.25
Rot. Bonds1

About 5-fluoro-1H-pyrazole-3-carboxylic acid

5-fluoro-1H-pyrazole-3-carboxylic acid (PubChem CID 130299149) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 5-fluoro-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1H-pyrazole-3-carboxylic acid
PubChem CID130299149
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name5-fluoro-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(F)[nH]n1
InChIInChI=1S/C4H3FN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChIKeyLSQNHKORGLHIMY-UHFFFAOYSA-N
XLogP0.25
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-fluoro-1H-pyrazole-3-carboxylic acid (CID 130299149) is 5-fluoro-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(F)[nH]n1.
What is the InChIKey of 5-fluoro-1H-pyrazole-3-carboxylic acid?
The InChIKey is LSQNHKORGLHIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9).
What are the key properties of 5-fluoro-1H-pyrazole-3-carboxylic acid?
5-fluoro-1H-pyrazole-3-carboxylic acid has a molecular weight of 130.08 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 130299149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).