3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid

C11H9FN2O3 — CID 117344244

IUPAC3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(F)c(-c2cc(C(=O)O)[nH]n2)cc1O
InChIInChI=1S/C11H9FN2O3/c1-5-2-7(12)6(3-10(5)15)8-4-9(11(16)17)14-13-8/h2-4,15H,1H3,(H,13,14)(H,16,17)
InChIKeyCJMPEUHGSBSDDM-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.93
Rot. Bonds2

About 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid

3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117344244) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117344244
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(F)c(-c2cc(C(=O)O)[nH]n2)cc1O
InChIInChI=1S/C11H9FN2O3/c1-5-2-7(12)6(3-10(5)15)8-4-9(11(16)17)14-13-8/h2-4,15H,1H3,(H,13,14)(H,16,17)
InChIKeyCJMPEUHGSBSDDM-UHFFFAOYSA-N
XLogP1.93
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117344244) is 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid is Cc1cc(F)c(-c2cc(C(=O)O)[nH]n2)cc1O.
What is the InChIKey of 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is CJMPEUHGSBSDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-5-2-7(12)6(3-10(5)15)8-4-9(11(16)17)14-13-8/h2-4,15H,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117344244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).