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

C21H23N5OS — CID 7519593

IUPACN-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)NC1CCCCC1
InChIInChI=1S/C21H23N5OS/c27-20(23-17-5-2-1-3-6-17)15-28-21-12-11-19(24-25-21)16-7-9-18(10-8-16)26-14-4-13-22-26/h4,7-14,17H,1-3,5-6,15H2,(H,23,27)
InChIKeyWALCKYNWEDEJPD-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.87
Rot. Bonds6

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

N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7519593) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7519593
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)NC1CCCCC1
InChIInChI=1S/C21H23N5OS/c27-20(23-17-5-2-1-3-6-17)15-28-21-12-11-19(24-25-21)16-7-9-18(10-8-16)26-14-4-13-22-26/h4,7-14,17H,1-3,5-6,15H2,(H,23,27)
InChIKeyWALCKYNWEDEJPD-UHFFFAOYSA-N
XLogP3.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7519593) is N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is WALCKYNWEDEJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c27-20(23-17-5-2-1-3-6-17)15-28-21-12-11-19(24-25-21)16-7-9-18(10-8-16)26-14-4-13-22-26/h4,7-14,17H,1-3,5-6,15H2,(H,23,27).
What are the key properties of N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 393.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7519593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).