4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

C11H7F3N2O3 — CID 2118127

IUPAC4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-3-1-2-4-7(6)16-5-8(17)9(15-16)10(18)19/h1-5,17H,(H,18,19)
InChIKeyZZKLUQPKTQBWJY-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.29
Rot. Bonds2

About 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (PubChem CID 2118127) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
PubChem CID2118127
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-3-1-2-4-7(6)16-5-8(17)9(15-16)10(18)19/h1-5,17H,(H,18,19)
InChIKeyZZKLUQPKTQBWJY-UHFFFAOYSA-N
XLogP2.29
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
CID 239538
Ethyl 1-(4-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
CID 730292
Methyl 4-hydroxy-1-(4-phenylphenyl)pyrazole-3-carboxylate
CID 705937
Ethyl 4-hydroxy-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
CID 730283
[1-(N-ethylanilino)-1-oxopropan-2-yl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 16274755
ethyl 1-(3,4-dimethylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
CID 730291
1-(4-chlorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid
CID 10610012
4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 350310
1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid
CID 14129354
4-methoxy-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 4962236
1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxylic acid
CID 33676673
1-(2-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid
CID 43133826

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (CID 2118127) is 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2C(F)(F)F)cc1O.
What is the InChIKey of 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The InChIKey is ZZKLUQPKTQBWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)6-3-1-2-4-7(6)16-5-8(17)9(15-16)10(18)19/h1-5,17H,(H,18,19).
What are the key properties of 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid has a molecular weight of 272.18 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 2118127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).