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

C24H17ClF3N3O2 — CID 59632508

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)ccc1O
InChIInChI=1S/C24H17ClF3N3O2/c1-14-12-17(10-11-21(14)32)29-23(33)16-8-6-15(7-9-16)20-13-22(24(26,27)28)30-31(20)19-5-3-2-4-18(19)25/h2-13,32H,1H3,(H,29,33)
InChIKeyVXYBWBLPSWVLSZ-UHFFFAOYSA-N
MW471.87 g/mol
LogP6.48
Rot. Bonds4

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

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide (PubChem CID 59632508) 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-(4-hydroxy-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide
PubChem CID59632508
Molecular FormulaC24H17ClF3N3O2
Molecular Weight471.87 g/mol
Exact Mass471.10
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)ccc1O
InChIInChI=1S/C24H17ClF3N3O2/c1-14-12-17(10-11-21(14)32)29-23(33)16-8-6-15(7-9-16)20-13-22(24(26,27)28)30-31(20)19-5-3-2-4-18(19)25/h2-13,32H,1H3,(H,29,33)
InChIKeyVXYBWBLPSWVLSZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
CID 70685551
N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloro-2-hydroxybenzamide
CID 11744452
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chloro-2-hydroxybenzamide
CID 53775919
N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide
CID 56603454
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-methoxyphenyl)benzamide
CID 59631641
[4-[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 59631655
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(4-methoxy-2-methylphenyl)benzamide
CID 59631671
3-[[4-[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]amino]-4-hydroxybenzoic acid
CID 59631686
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 59631745
N-(5-tert-butyl-2-methoxyphenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59631749
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
CID 59631763
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 59631786

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide (CID 59632508) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)ccc1O.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-methylphenyl)benzamide?
The InChIKey is VXYBWBLPSWVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O2/c1-14-12-17(10-11-21(14)32)29-23(33)16-8-6-15(7-9-16)20-13-22(24(26,27)28)30-31(20)19-5-3-2-4-18(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-(4-hydroxy-3-methylphenyl)benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-hydroxy-3-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-(4-hydroxy-3-methylphenyl)benzamide is sourced from PubChem (CID 59632508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).