3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid

C17H11F3N2O2 — CID 58156960

IUPAC3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)14-5-2-6-15(8-14)22-10-13(9-21-22)11-3-1-4-12(7-11)16(23)24/h1-10H,(H,23,24)
InChIKeyQRZHJCAYQOFIPP-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.26
Rot. Bonds3

About 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid

3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid (PubChem CID 58156960) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
PubChem CID58156960
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)14-5-2-6-15(8-14)22-10-13(9-21-22)11-3-1-4-12(7-11)16(23)24/h1-10H,(H,23,24)
InChIKeyQRZHJCAYQOFIPP-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-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-[1-(3-hydroxyphenyl)pyrazol-4-yl]benzoic acid
CID 67506851
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198
3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid
CID 169270982
3-[4-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 11558186
3-[4-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 118404836
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
3-(4-fluoropyrazol-1-yl)benzoic acid
CID 135296191
3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
6-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrimidine-2,4-diamine
CID 167877515
3-[4-(2-fluoro-4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 118404797
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331
2-[5-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]ethanamine
CID 167899707

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid?
The IUPAC name of 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid (CID 58156960) is 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid.
What is the SMILES notation for 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid?
The canonical SMILES for 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid is O=C(O)c1cccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid?
The InChIKey is QRZHJCAYQOFIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)14-5-2-6-15(8-14)22-10-13(9-21-22)11-3-1-4-12(7-11)16(23)24/h1-10H,(H,23,24).
What are the key properties of 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid?
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid has a molecular weight of 332.28 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid is sourced from PubChem (CID 58156960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).