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

C20H15BrN4OS — CID 2717188

IUPACN-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H15BrN4OS/c1-13(26)22-19-11-17(15-7-9-16(21)10-8-15)24-25(19)20-23-18(12-27-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,26)
InChIKeySLRMGFZEXZWYCS-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.38
Rot. Bonds4

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

N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide (PubChem CID 2717188) has the molecular formula C20H15BrN4OS and a molecular weight of 439.34 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
PubChem CID2717188
Molecular FormulaC20H15BrN4OS
Molecular Weight439.34 g/mol
Exact Mass438.01
IUPAC NameN-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H15BrN4OS/c1-13(26)22-19-11-17(15-7-9-16(21)10-8-15)24-25(19)20-23-18(12-27-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,26)
InChIKeySLRMGFZEXZWYCS-UHFFFAOYSA-N
XLogP5.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide (CID 2717188) is N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide is CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is SLRMGFZEXZWYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4OS/c1-13(26)22-19-11-17(15-7-9-16(21)10-8-15)24-25(19)20-23-18(12-27-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,26).
What are the key properties of N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide?
N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 439.34 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 2717188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).