4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid

C16H11FN2O2 — CID 16776414

IUPAC4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H11FN2O2/c17-13-5-1-11(2-6-13)15-9-10-18-19(15)14-7-3-12(4-8-14)16(20)21/h1-10H,(H,20,21)
InChIKeyQSVBYSXSSQFFRN-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.38
Rot. Bonds3

About 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid

4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid (PubChem CID 16776414) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid
PubChem CID16776414
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H11FN2O2/c17-13-5-1-11(2-6-13)15-9-10-18-19(15)14-7-3-12(4-8-14)16(20)21/h1-10H,(H,20,21)
InChIKeyQSVBYSXSSQFFRN-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid (CID 16776414) is 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid?
The InChIKey is QSVBYSXSSQFFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-5-1-11(2-6-13)15-9-10-18-19(15)14-7-3-12(4-8-14)16(20)21/h1-10H,(H,20,21).
What are the key properties of 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid?
4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid has a molecular weight of 282.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 16776414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).