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

C23H21N5OS — CID 7519607

IUPACN-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c(C)c1
InChIInChI=1S/C23H21N5OS/c1-16-4-9-20(17(2)14-16)25-22(29)15-30-23-11-10-21(26-27-23)18-5-7-19(8-6-18)28-13-3-12-24-28/h3-14H,15H2,1-2H3,(H,25,29)
InChIKeyBMGLGNBLPXGFIT-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.68
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7519607) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7519607
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c(C)c1
InChIInChI=1S/C23H21N5OS/c1-16-4-9-20(17(2)14-16)25-22(29)15-30-23-11-10-21(26-27-23)18-5-7-19(8-6-18)28-13-3-12-24-28/h3-14H,15H2,1-2H3,(H,25,29)
InChIKeyBMGLGNBLPXGFIT-UHFFFAOYSA-N
XLogP4.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7519607) is N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is BMGLGNBLPXGFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-16-4-9-20(17(2)14-16)25-22(29)15-30-23-11-10-21(26-27-23)18-5-7-19(8-6-18)28-13-3-12-24-28/h3-14H,15H2,1-2H3,(H,25,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 415.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7519607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).