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

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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).