3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid

C11H7F3N2O3 — CID 66855797

IUPAC3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(18)19/h1-5,15H,(H,18,19)
InChIKeyILGYITRFAGAYTB-UHFFFAOYSA-N
MW272.18 g/mol
LogP1.88
Rot. Bonds2

About 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 66855797) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID66855797
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(18)19/h1-5,15H,(H,18,19)
InChIKeyILGYITRFAGAYTB-UHFFFAOYSA-N
XLogP1.88
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid
CID 83557584
methyl 5-hydroxy-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylate
CID 2740352
5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 9167391
1-(3,4-dimethylphenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 45496344
2-(3-bromo-4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 83559197
2-[4-bromo-3-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid
CID 168273068
2-[4-methyl-3-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid
CID 168296002
2-(3-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 20256962
(2E)-3-{[4-(Trifluoromethyl)phenyl]carbamoyl}prop-2-enoic acid
CID 709318
1-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 17609320
methyl 3-oxo-2-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 2738974
3-oxo-2-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83544881

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 66855797) is 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(=O)n(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is ILGYITRFAGAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(18)19/h1-5,15H,(H,18,19).
What are the key properties of 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 272.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 66855797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).