6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

C22H14F3N3O2 — CID 139220137

IUPAC6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)cc2C(F)(F)F)nc1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)19-12-18(27-28(19)20-11-10-17(13-26-20)21(29)30)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,29,30)
InChIKeyLGHYQOXCUKUQKF-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.32
Rot. Bonds4

About 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 139220137) has the molecular formula C22H14F3N3O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID139220137
Molecular FormulaC22H14F3N3O2
Molecular Weight409.37 g/mol
Exact Mass409.10
IUPAC Name6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)cc2C(F)(F)F)nc1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)19-12-18(27-28(19)20-11-10-17(13-26-20)21(29)30)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,29,30)
InChIKeyLGHYQOXCUKUQKF-UHFFFAOYSA-N
XLogP5.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-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

A 81988
CID 132387
2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
2-[prop-2-enyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657947
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657949
4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15658041
5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15658044
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
1-[6-[3-(Dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 157010569
2-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657951
2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 10408684
2-[cyclopropylmethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657948
2-[3-methylbutyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657950

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 139220137) is 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)cc2C(F)(F)F)nc1.
What is the InChIKey of 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is LGHYQOXCUKUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O2/c23-22(24,25)19-12-18(27-28(19)20-11-10-17(13-26-20)21(29)30)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,29,30).
What are the key properties of 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 409.37 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-phenylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 139220137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).