N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide

C20H21N5OS — CID 50844695

IUPACN-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1c2c(nn1-c1ccc(SCC(=O)NCc3ccccc3)nn1)CCC2
InChIInChI=1S/C20H21N5OS/c1-14-16-8-5-9-17(16)24-25(14)18-10-11-20(23-22-18)27-13-19(26)21-12-15-6-3-2-4-7-15/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H,21,26)
InChIKeyHUXVNPJATQMRCD-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.87
Rot. Bonds6

About N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide

N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 50844695) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID50844695
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1c2c(nn1-c1ccc(SCC(=O)NCc3ccccc3)nn1)CCC2
InChIInChI=1S/C20H21N5OS/c1-14-16-8-5-9-17(16)24-25(14)18-10-11-20(23-22-18)27-13-19(26)21-12-15-6-3-2-4-7-15/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H,21,26)
InChIKeyHUXVNPJATQMRCD-UHFFFAOYSA-N
XLogP2.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 50844410
3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 50844631
2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 50844666
N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109172
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide
CID 53108909
2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 8699651
N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide
CID 42138315
N-benzyl-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 7118156
N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611311
N-benzyl-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401253

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 50844695) is N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide is Cc1c2c(nn1-c1ccc(SCC(=O)NCc3ccccc3)nn1)CCC2.
What is the InChIKey of N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is HUXVNPJATQMRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-14-16-8-5-9-17(16)24-25(14)18-10-11-20(23-22-18)27-13-19(26)21-12-15-6-3-2-4-7-15/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H,21,26).
What are the key properties of N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 379.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 50844695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).