3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid

C17H11F3N2O2 — CID 141357507

IUPAC3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cc(-c3ccccc3C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)13-7-2-1-6-12(13)15-9-14(21-22-15)10-4-3-5-11(8-10)16(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKeyRYVVXSRNOQIJGV-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.46
Rot. Bonds3

About 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid

3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid (PubChem CID 141357507) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid
PubChem CID141357507
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cc(-c3ccccc3C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)13-7-2-1-6-12(13)15-9-14(21-22-15)10-4-3-5-11(8-10)16(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKeyRYVVXSRNOQIJGV-UHFFFAOYSA-N
XLogP4.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic 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

3-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357492
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
CID 118577360
3-[5-(2,5-difluorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357515
3-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357516
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
CID 39219281
4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 20626317
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole
CID 134462721
5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid
CID 11427540
6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 53223948
3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357527
3-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]benzoic acid
CID 141357520

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid?
The IUPAC name of 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid (CID 141357507) is 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid?
The canonical SMILES for 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid is O=C(O)c1cccc(-c2cc(-c3ccccc3C(F)(F)F)[nH]n2)c1.
What is the InChIKey of 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid?
The InChIKey is RYVVXSRNOQIJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)13-7-2-1-6-12(13)15-9-14(21-22-15)10-4-3-5-11(8-10)16(23)24/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid?
3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid has a molecular weight of 332.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 141357507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).