5-fluoro-1-phenylpyrazole-4-carboxylic acid

C10H7FN2O2 — CID 2774738

IUPAC5-fluoro-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1F
InChIInChI=1S/C10H7FN2O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKeyLKZKSONDELVYHZ-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.71
Rot. Bonds2

About 5-fluoro-1-phenylpyrazole-4-carboxylic acid

5-fluoro-1-phenylpyrazole-4-carboxylic acid (PubChem CID 2774738) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-fluoro-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-phenylpyrazole-4-carboxylic acid
PubChem CID2774738
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-fluoro-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1F
InChIInChI=1S/C10H7FN2O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKeyLKZKSONDELVYHZ-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-fluoro-1-phenylpyrazole-4-carboxylic acid (CID 2774738) is 5-fluoro-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-fluoro-1-phenylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2)c1F.
What is the InChIKey of 5-fluoro-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is LKZKSONDELVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15).
What are the key properties of 5-fluoro-1-phenylpyrazole-4-carboxylic acid?
5-fluoro-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 206.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 2774738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).