1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

C28H23F3N4O2 — CID 3601810

IUPAC1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccccc1O
InChIInChI=1S/C28H23F3N4O2/c1-18-15-26(28(29,30)31)33-34(18)17-27(37)35-24(22-9-5-6-10-25(22)36)16-23(32-35)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-15,24,36H,16-17H2,1H3
InChIKeyUOVRNJHVCMOCKC-UHFFFAOYSA-N
MW504.51 g/mol
LogP5.96
Rot. Bonds5

About 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 3601810) has the molecular formula C28H23F3N4O2 and a molecular weight of 504.51 g/mol. Its IUPAC name is 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID3601810
Molecular FormulaC28H23F3N4O2
Molecular Weight504.51 g/mol
Exact Mass504.18
IUPAC Name1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccccc1O
InChIInChI=1S/C28H23F3N4O2/c1-18-15-26(28(29,30)31)33-34(18)17-27(37)35-24(22-9-5-6-10-25(22)36)16-23(32-35)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-15,24,36H,16-17H2,1H3
InChIKeyUOVRNJHVCMOCKC-UHFFFAOYSA-N
XLogP5.96
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone 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 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 3601810) is 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccccc1O.
What is the InChIKey of 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is UOVRNJHVCMOCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O2/c1-18-15-26(28(29,30)31)33-34(18)17-27(37)35-24(22-9-5-6-10-25(22)36)16-23(32-35)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-15,24,36H,16-17H2,1H3.
What are the key properties of 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 504.51 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 3601810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).