N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide

C18H16ClN3OS — CID 112810243

IUPACN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3OS/c1-12-11-17(22(21-12)14-9-7-13(19)8-10-14)20-18(23)15-5-3-4-6-16(15)24-2/h3-11H,1-2H3,(H,20,23)
InChIKeyZHRNAPIDWTZHSY-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.81
Rot. Bonds4

About N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide

N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 112810243) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
PubChem CID112810243
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC NameN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3OS/c1-12-11-17(22(21-12)14-9-7-13(19)8-10-14)20-18(23)15-5-3-4-6-16(15)24-2/h3-11H,1-2H3,(H,20,23)
InChIKeyZHRNAPIDWTZHSY-UHFFFAOYSA-N
XLogP4.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 78835917
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 135752996
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 112823648
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
5-(4-chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 15988870
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide
CID 139012815

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (CID 112810243) is N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is ZHRNAPIDWTZHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-12-11-17(22(21-12)14-9-7-13(19)8-10-14)20-18(23)15-5-3-4-6-16(15)24-2/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 357.87 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 112810243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).