4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid

C17H10ClF3N2O2 — CID 164863179

IUPAC4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2ccc(-c3cc(C(F)(F)F)ccc3Cl)n2)cc1
InChIInChI=1S/C17H10ClF3N2O2/c18-14-6-3-11(17(19,20)21)9-13(14)15-7-8-23(22-15)12-4-1-10(2-5-12)16(24)25/h1-9H,(H,24,25)
InChIKeyNNYISGBODGSFNY-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.91
Rot. Bonds3

About 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid

4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid (PubChem CID 164863179) has the molecular formula C17H10ClF3N2O2 and a molecular weight of 366.73 g/mol. Its IUPAC name is 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
PubChem CID164863179
Molecular FormulaC17H10ClF3N2O2
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Name4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2ccc(-c3cc(C(F)(F)F)ccc3Cl)n2)cc1
InChIInChI=1S/C17H10ClF3N2O2/c18-14-6-3-11(17(19,20)21)9-13(14)15-7-8-23(22-15)12-4-1-10(2-5-12)16(24)25/h1-9H,(H,24,25)
InChIKeyNNYISGBODGSFNY-UHFFFAOYSA-N
XLogP4.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid (CID 164863179) is 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2ccc(-c3cc(C(F)(F)F)ccc3Cl)n2)cc1.
What is the InChIKey of 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid?
The InChIKey is NNYISGBODGSFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2/c18-14-6-3-11(17(19,20)21)9-13(14)15-7-8-23(22-15)12-4-1-10(2-5-12)16(24)25/h1-9H,(H,24,25).
What are the key properties of 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid?
4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid has a molecular weight of 366.73 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 164863179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).