2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide

C17H15N3OS — CID 50958751

IUPAC2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C17H15N3OS/c18-17(21)12-22-16-8-4-14(5-9-16)13-2-6-15(7-3-13)20-11-1-10-19-20/h1-11H,12H2,(H2,18,21)
InChIKeyYZXAJFXVAUYBDR-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.12
Rot. Bonds5

About 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide

2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide (PubChem CID 50958751) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide
PubChem CID50958751
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C17H15N3OS/c18-17(21)12-22-16-8-4-14(5-9-16)13-2-6-15(7-3-13)20-11-1-10-19-20/h1-11H,12H2,(H2,18,21)
InChIKeyYZXAJFXVAUYBDR-UHFFFAOYSA-N
XLogP3.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-Cyano-3-[3-(4-ethylsulfanyl-phenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-methoxy-propyl)-acrylamide
CID 1880109
N-(2-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519613
2-((6-(4-(1H-pyrazol-1-yl)phenyl)pyridazin-3-yl)thio)-N-(o-tolyl)acetamide
CID 7519599
(Z)-2-Cyano-N-(3-methoxy-propyl)-3-[1-phenyl-3-(4-propylsulfanyl-phenyl)-1H-pyrazol-4-yl]-acrylamide
CID 1875026
(Z)-2-Cyano-3-[3-(4-ethylsulfanyl-phenyl)-1-phenyl-1H-pyrazol-4-yl]-N-methyl-acrylamide
CID 1878238
N-cyclopentyl-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]acetamide
CID 32159629
2-[4-[(E)-2-cyanoethenyl]sulfonylphenyl]-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide
CID 88921677
2-[(1,3-Diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135519832
N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519607
N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519614
N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24231427
2-((6-(4-(1H-pyrazol-1-yl)phenyl)pyridazin-3-yl)thio)-N-(3,4-difluorophenyl)acetamide
CID 41006022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide?
The IUPAC name of 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide (CID 50958751) is 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide is NC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide?
The InChIKey is YZXAJFXVAUYBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c18-17(21)12-22-16-8-4-14(5-9-16)13-2-6-15(7-3-13)20-11-1-10-19-20/h1-11H,12H2,(H2,18,21).
What are the key properties of 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide?
2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide has a molecular weight of 309.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 50958751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).