4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide

C24H17ClF3N3O2 — CID 59631888

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
SMILESCc1c(O)cccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H17ClF3N3O2/c1-14-18(6-4-8-21(14)32)29-23(33)16-11-9-15(10-12-16)20-13-22(24(26,27)28)30-31(20)19-7-3-2-5-17(19)25/h2-13,32H,1H3,(H,29,33)
InChIKeyJJANXFNLXLLIDW-UHFFFAOYSA-N
MW471.87 g/mol
LogP6.48
Rot. Bonds4

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide (PubChem CID 59631888) has the molecular formula C24H17ClF3N3O2 and a molecular weight of 471.87 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
PubChem CID59631888
Molecular FormulaC24H17ClF3N3O2
Molecular Weight471.87 g/mol
Exact Mass471.10
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
SMILESCc1c(O)cccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H17ClF3N3O2/c1-14-18(6-4-8-21(14)32)29-23(33)16-11-9-15(10-12-16)20-13-22(24(26,27)28)30-31(20)19-7-3-2-5-17(19)25/h2-13,32H,1H3,(H,29,33)
InChIKeyJJANXFNLXLLIDW-UHFFFAOYSA-N
XLogP6.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.87
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide 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-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide (CID 59631888) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide is Cc1c(O)cccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide?
The InChIKey is JJANXFNLXLLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O2/c1-14-18(6-4-8-21(14)32)29-23(33)16-11-9-15(10-12-16)20-13-22(24(26,27)28)30-31(20)19-7-3-2-5-17(19)25/h2-13,32H,1H3,(H,29,33).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide has a molecular weight of 471.87 g/mol, XLogP of 6.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 59631888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).