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

C25H17ClN4OS — CID 3057630

IUPACN-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C25H17ClN4OS/c26-20-13-11-18(12-14-20)21-15-23(28-24(31)19-9-5-2-6-10-19)30(29-21)25-27-22(16-32-25)17-7-3-1-4-8-17/h1-16H,(H,28,31)
InChIKeyLTJMLVVPMGKBHC-UHFFFAOYSA-N
MW456.96 g/mol
LogP6.57
Rot. Bonds5

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

N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide (PubChem CID 3057630) has the molecular formula C25H17ClN4OS and a molecular weight of 456.96 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
PubChem CID3057630
Molecular FormulaC25H17ClN4OS
Molecular Weight456.96 g/mol
Exact Mass456.08
IUPAC NameN-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C25H17ClN4OS/c26-20-13-11-18(12-14-20)21-15-23(28-24(31)19-9-5-2-6-10-19)30(29-21)25-27-22(16-32-25)17-7-3-1-4-8-17/h1-16H,(H,28,31)
InChIKeyLTJMLVVPMGKBHC-UHFFFAOYSA-N
XLogP6.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.96
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide (CID 3057630) is N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide is O=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The InChIKey is LTJMLVVPMGKBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4OS/c26-20-13-11-18(12-14-20)21-15-23(28-24(31)19-9-5-2-6-10-19)30(29-21)25-27-22(16-32-25)17-7-3-1-4-8-17/h1-16H,(H,28,31).
What are the key properties of N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide has a molecular weight of 456.96 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 3057630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).