N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide

C16H17FN6OS — CID 26362534

IUPACN-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCSc1nnc(CNC(=O)Cn2nccc2C)n1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN6OS/c1-11-7-8-19-22(11)10-15(24)18-9-14-20-21-16(25-2)23(14)13-5-3-12(17)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,24)
InChIKeyAIOUDXWXBIJPPS-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.95
Rot. Bonds6

About N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide

N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 26362534) has the molecular formula C16H17FN6OS and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID26362534
Molecular FormulaC16H17FN6OS
Molecular Weight360.42 g/mol
Exact Mass360.12
IUPAC NameN-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCSc1nnc(CNC(=O)Cn2nccc2C)n1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN6OS/c1-11-7-8-19-22(11)10-15(24)18-9-14-20-21-16(25-2)23(14)13-5-3-12(17)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,24)
InChIKeyAIOUDXWXBIJPPS-UHFFFAOYSA-N
XLogP1.95
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 42332517
acetic acid;ethane;4-fluoro-N-[[4-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]aniline
CID 143108399
N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbutanamide
CID 4026905
(E)-3-(3-fluorophenyl)-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide
CID 42363493
4-chloro-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide
CID 4602651
(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 125171519
N-[[5-(cyclohexylmethylsulfanyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 26357403
2-(5-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282263
2,5-dichloro-N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 40826939
3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1,1-dimethylurea
CID 5181441
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 25465037
2-[[5-[(4-fluoroanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 650362

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide (CID 26362534) is N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide is CSc1nnc(CNC(=O)Cn2nccc2C)n1-c1ccc(F)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is AIOUDXWXBIJPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6OS/c1-11-7-8-19-22(11)10-15(24)18-9-14-20-21-16(25-2)23(14)13-5-3-12(17)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,24).
What are the key properties of N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide?
N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 26362534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).