N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide

C26H20N4OS — CID 3057631

IUPACN-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccccc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C26H20N4OS/c1-18-12-14-20(15-13-18)22-16-24(28-25(31)21-10-6-3-7-11-21)30(29-22)26-27-23(17-32-26)19-8-4-2-5-9-19/h2-17H,1H3,(H,28,31)
InChIKeyXFCVRFVEIIYQFM-UHFFFAOYSA-N
MW436.54 g/mol
LogP6.22
Rot. Bonds5

About N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide

N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide (PubChem CID 3057631) has the molecular formula C26H20N4OS and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
PubChem CID3057631
Molecular FormulaC26H20N4OS
Molecular Weight436.54 g/mol
Exact Mass436.14
IUPAC NameN-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccccc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C26H20N4OS/c1-18-12-14-20(15-13-18)22-16-24(28-25(31)21-10-6-3-7-11-21)30(29-22)26-27-23(17-32-26)19-8-4-2-5-9-19/h2-17H,1H3,(H,28,31)
InChIKeyXFCVRFVEIIYQFM-UHFFFAOYSA-N
XLogP6.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]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 N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The IUPAC name of N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide (CID 3057631) is N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide is Cc1ccc(-c2cc(NC(=O)c3ccccc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The InChIKey is XFCVRFVEIIYQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4OS/c1-18-12-14-20(15-13-18)22-16-24(28-25(31)21-10-6-3-7-11-21)30(29-22)26-27-23(17-32-26)19-8-4-2-5-9-19/h2-17H,1H3,(H,28,31).
What are the key properties of N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide has a molecular weight of 436.54 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 3057631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).