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

C20H16N4OS — CID 1498360

IUPACN-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H16N4OS/c1-14(25)21-19-12-17(15-8-4-2-5-9-15)23-24(19)20-22-18(13-26-20)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,25)
InChIKeyVCPHVFVMLIOOQC-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.62
Rot. Bonds4

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

N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide (PubChem CID 1498360) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
PubChem CID1498360
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H16N4OS/c1-14(25)21-19-12-17(15-8-4-2-5-9-15)23-24(19)20-22-18(13-26-20)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,25)
InChIKeyVCPHVFVMLIOOQC-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide (CID 1498360) is N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide is CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is VCPHVFVMLIOOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-14(25)21-19-12-17(15-8-4-2-5-9-15)23-24(19)20-22-18(13-26-20)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,25).
What are the key properties of N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 1498360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).