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

C22H19N5OS — CID 7519599

IUPACN-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1
InChIInChI=1S/C22H19N5OS/c1-16-5-2-3-6-19(16)24-21(28)15-29-22-12-11-20(25-26-22)17-7-9-18(10-8-17)27-14-4-13-23-27/h2-14H,15H2,1H3,(H,24,28)
InChIKeyMEJKBUZTTACQMJ-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.37
Rot. Bonds6

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

N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7519599) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7519599
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC NameN-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1
InChIInChI=1S/C22H19N5OS/c1-16-5-2-3-6-19(16)24-21(28)15-29-22-12-11-20(25-26-22)17-7-9-18(10-8-17)27-14-4-13-23-27/h2-14H,15H2,1H3,(H,24,28)
InChIKeyMEJKBUZTTACQMJ-UHFFFAOYSA-N
XLogP4.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7519599) is N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is Cc1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1.
What is the InChIKey of N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is MEJKBUZTTACQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-16-5-2-3-6-19(16)24-21(28)15-29-22-12-11-20(25-26-22)17-7-9-18(10-8-17)27-14-4-13-23-27/h2-14H,15H2,1H3,(H,24,28).
What are the key properties of N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 401.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7519599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).