4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid

C16H11FN2O3 — CID 135487477

IUPAC4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nccc2-c2ccc(F)cc2O)cc1
InChIInChI=1S/C16H11FN2O3/c17-11-3-6-13(15(20)9-11)14-7-8-18-19(14)12-4-1-10(2-5-12)16(21)22/h1-9,20H,(H,21,22)
InChIKeyOLLPSFLCCMUXNW-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.08
Rot. Bonds3

About 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid

4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid (PubChem CID 135487477) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid
PubChem CID135487477
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nccc2-c2ccc(F)cc2O)cc1
InChIInChI=1S/C16H11FN2O3/c17-11-3-6-13(15(20)9-11)14-7-8-18-19(14)12-4-1-10(2-5-12)16(21)22/h1-9,20H,(H,21,22)
InChIKeyOLLPSFLCCMUXNW-UHFFFAOYSA-N
XLogP3.08
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 854139
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
CID 688697
4-(1H-pyrazol-1-yl)benzoic acid
CID 736527
2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
4-(5-phenyltriazol-1-yl)benzoic Acid
CID 7996463
(2-hydroxyphenyl)[1-(4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1481829
4-[4-(2-hydroxybenzoyl)-1H-pyrazol-1-yl]benzenecarboxylic acid
CID 1478023
[1-(3-fluorophenyl)-1H-pyrazol-4-yl](2-hydroxyphenyl)methanone
CID 1482067
4-(3-Tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid
CID 59477650
4-(4-Cyano-3-phenylpyrazol-1-yl)-2-hydroxybenzoic acid
CID 59478020
4-(3-Cyanopyrazol-1-yl)-2-hydroxybenzoic acid
CID 59478022
Benzoic acid, p-(2H-indazol-2-yl)-
CID 54730

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid (CID 135487477) is 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2nccc2-c2ccc(F)cc2O)cc1.
What is the InChIKey of 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid?
The InChIKey is OLLPSFLCCMUXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-11-3-6-13(15(20)9-11)14-7-8-18-19(14)12-4-1-10(2-5-12)16(21)22/h1-9,20H,(H,21,22).
What are the key properties of 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid?
4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid has a molecular weight of 298.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 135487477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).