2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

C22H16F3N5OS — CID 16822557

IUPAC2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H16F3N5OS/c23-22(24,25)16-4-6-17(7-5-16)27-20(31)14-32-21-11-10-19(28-29-21)15-2-8-18(9-3-15)30-13-1-12-26-30/h1-13H,14H2,(H,27,31)
InChIKeyDINLRAPBCHFQAA-UHFFFAOYSA-N
MW455.47 g/mol
LogP5.08
Rot. Bonds6

About 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 16822557) has the molecular formula C22H16F3N5OS and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID16822557
Molecular FormulaC22H16F3N5OS
Molecular Weight455.47 g/mol
Exact Mass455.10
IUPAC Name2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H16F3N5OS/c23-22(24,25)16-4-6-17(7-5-16)27-20(31)14-32-21-11-10-19(28-29-21)15-2-8-18(9-3-15)30-13-1-12-26-30/h1-13H,14H2,(H,27,31)
InChIKeyDINLRAPBCHFQAA-UHFFFAOYSA-N
XLogP5.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 41084935
2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 20900482
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519599
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519631
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936710
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41005994
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936729
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 43936682
N-[6-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42139288
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (CID 16822557) is 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DINLRAPBCHFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5OS/c23-22(24,25)16-4-6-17(7-5-16)27-20(31)14-32-21-11-10-19(28-29-21)15-2-8-18(9-3-15)30-13-1-12-26-30/h1-13H,14H2,(H,27,31).
What are the key properties of 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 455.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16822557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).