N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide

C13H14FN3OS — CID 45284565

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C13H14FN3OS/c1-9-7-12(17(2)16-9)15-13(18)8-19-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyZTCDUEXSAZSQPR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 45284565) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID45284565
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C13H14FN3OS/c1-9-7-12(17(2)16-9)15-13(18)8-19-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyZTCDUEXSAZSQPR-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide (CID 45284565) is N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is ZTCDUEXSAZSQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-9-7-12(17(2)16-9)15-13(18)8-19-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 279.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 45284565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).