N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide

C23H24N6OS — CID 42434811

IUPACN-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCSc1nnc(CNC(=O)c2cccc(-n3nc(C)cc3C)c2)n1Cc1ccccc1
InChIInChI=1S/C23H24N6OS/c1-16-12-17(2)29(27-16)20-11-7-10-19(13-20)22(30)24-14-21-25-26-23(31-3)28(21)15-18-8-5-4-6-9-18/h4-13H,14-15H2,1-3H3,(H,24,30)
InChIKeyVYKCXSWSDQESMQ-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.78
Rot. Bonds7

About N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide

N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 42434811) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID42434811
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC NameN-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCSc1nnc(CNC(=O)c2cccc(-n3nc(C)cc3C)c2)n1Cc1ccccc1
InChIInChI=1S/C23H24N6OS/c1-16-12-17(2)29(27-16)20-11-7-10-19(13-20)22(30)24-14-21-25-26-23(31-3)28(21)15-18-8-5-4-6-9-18/h4-13H,14-15H2,1-3H3,(H,24,30)
InChIKeyVYKCXSWSDQESMQ-UHFFFAOYSA-N
XLogP3.78
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide with MolForge

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Related Compounds

N-[[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 45197956
N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylbenzamide
CID 42432750
CID 58656859
CID 58656859
4-(3,5-dimethylpyrazol-1-yl)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
CID 134013574
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide
CID 72859306
N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 42499126
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 142753710
N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide
CID 7085572
(4S)-N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxane-4-carboxamide
CID 26342023
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[5-[(2-fluorophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 42372658
3-fluoro-N-[[4-(2-methylpropyl)-5-(2-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 26363042
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide (CID 42434811) is N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide is CSc1nnc(CNC(=O)c2cccc(-n3nc(C)cc3C)c2)n1Cc1ccccc1.
What is the InChIKey of N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is VYKCXSWSDQESMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-16-12-17(2)29(27-16)20-11-7-10-19(13-20)22(30)24-14-21-25-26-23(31-3)28(21)15-18-8-5-4-6-9-18/h4-13H,14-15H2,1-3H3,(H,24,30).
What are the key properties of N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide?
N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 432.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 42434811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).