2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid

C13H11F3N2O3 — CID 81332936

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2C(=O)O)n(C)n1
InChIInChI=1S/C13H11F3N2O3/c1-7-5-11(18(2)17-7)21-10-4-3-8(13(14,15)16)6-9(10)12(19)20/h3-6H,1-2H3,(H,19,20)
InChIKeyOGUDDEIJGCMAHP-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.24
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid

2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid (PubChem CID 81332936) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid
PubChem CID81332936
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2C(=O)O)n(C)n1
InChIInChI=1S/C13H11F3N2O3/c1-7-5-11(18(2)17-7)21-10-4-3-8(13(14,15)16)6-9(10)12(19)20/h3-6H,1-2H3,(H,19,20)
InChIKeyOGUDDEIJGCMAHP-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid (CID 81332936) is 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid is Cc1cc(Oc2ccc(C(F)(F)F)cc2C(=O)O)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid?
The InChIKey is OGUDDEIJGCMAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-7-5-11(18(2)17-7)21-10-4-3-8(13(14,15)16)6-9(10)12(19)20/h3-6H,1-2H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid?
2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid has a molecular weight of 300.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxy-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 81332936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).