3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

C11H7FN2O4 — CID 117378288

IUPAC3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2C(=O)O)n[nH]1
InChIInChI=1S/C11H7FN2O4/c12-5-1-2-6(7(3-5)10(15)16)8-4-9(11(17)18)14-13-8/h1-4H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyDRECIWDGWVOWMX-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.61
Rot. Bonds3

About 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117378288) has the molecular formula C11H7FN2O4 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117378288
Molecular FormulaC11H7FN2O4
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Name3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2C(=O)O)n[nH]1
InChIInChI=1S/C11H7FN2O4/c12-5-1-2-6(7(3-5)10(15)16)8-4-9(11(17)18)14-13-8/h1-4H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyDRECIWDGWVOWMX-UHFFFAOYSA-N
XLogP1.61
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(4-carboxy-2,3-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117423812
3-(5-fluoro-2-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117383381
3-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115003437
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364
3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991076
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
3-(4-bromo-2,3,5-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111378
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 137017195

Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 117378288) is 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2C(=O)O)n[nH]1.
What is the InChIKey of 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is DRECIWDGWVOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O4/c12-5-1-2-6(7(3-5)10(15)16)8-4-9(11(17)18)14-13-8/h1-4H,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 250.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117378288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).