N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

C23H19N5O2S — CID 18573975

IUPACN-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)cc1
InChIInChI=1S/C23H19N5O2S/c1-16(29)17-3-7-19(8-4-17)25-22(30)15-31-23-12-11-21(26-27-23)18-5-9-20(10-6-18)28-14-2-13-24-28/h2-14H,15H2,1H3,(H,25,30)
InChIKeyUVCRTWSMPQLSNJ-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.26
Rot. Bonds7

About N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 18573975) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID18573975
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC NameN-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)cc1
InChIInChI=1S/C23H19N5O2S/c1-16(29)17-3-7-19(8-4-17)25-22(30)15-31-23-12-11-21(26-27-23)18-5-9-20(10-6-18)28-14-2-13-24-28/h2-14H,15H2,1H3,(H,25,30)
InChIKeyUVCRTWSMPQLSNJ-UHFFFAOYSA-N
XLogP4.26
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 18573975) is N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is UVCRTWSMPQLSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-16(29)17-3-7-19(8-4-17)25-22(30)15-31-23-12-11-21(26-27-23)18-5-9-20(10-6-18)28-14-2-13-24-28/h2-14H,15H2,1H3,(H,25,30).
What are the key properties of N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 429.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 18573975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).