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

C21H18N4OS — CID 1498356

IUPACN-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H18N4OS/c1-14-8-10-17(11-9-14)18-12-20(22-15(2)26)25(24-18)21-23-19(13-27-21)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,26)
InChIKeyQZZOWEAVGQTUJD-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.93
Rot. Bonds4

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

N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide (PubChem CID 1498356) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
PubChem CID1498356
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H18N4OS/c1-14-8-10-17(11-9-14)18-12-20(22-15(2)26)25(24-18)21-23-19(13-27-21)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,26)
InChIKeyQZZOWEAVGQTUJD-UHFFFAOYSA-N
XLogP4.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide (CID 1498356) is N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide is CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is QZZOWEAVGQTUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-8-10-17(11-9-14)18-12-20(22-15(2)26)25(24-18)21-23-19(13-27-21)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,26).
What are the key properties of N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
N-[3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 4.93, 4 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]acetamide is sourced from PubChem (CID 1498356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).