N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide

C17H17N5OS — CID 56766208

IUPACN-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C17H17N5OS/c1-2-13-4-6-14(7-5-13)19-16(23)12-24-17-9-8-15(20-21-17)22-11-3-10-18-22/h3-11H,2,12H2,1H3,(H,19,23)
InChIKeyPUSGVCCMIMEMKV-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.96
Rot. Bonds6

About N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide

N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 56766208) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID56766208
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C17H17N5OS/c1-2-13-4-6-14(7-5-13)19-16(23)12-24-17-9-8-15(20-21-17)22-11-3-10-18-22/h3-11H,2,12H2,1H3,(H,19,23)
InChIKeyPUSGVCCMIMEMKV-UHFFFAOYSA-N
XLogP2.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylsulfanylmethyl)-phenyl]-urea
CID 17941480
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethylsulfanyl)-phenyl]-urea
CID 44286082
Vuaa1
CID 1319135
1-(4-Methylphenyl)-6-{[2-oxo-2-(piperidin-1-YL)ethyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 135449164
N-Cyclopentyl-2-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetamide
CID 3226595
2-((5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-phenylacetamide
CID 3329295
N-(2-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519613
N-(2,4-Dimethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}sulfanyl)acetamide
CID 16011448
N-[(2-Methylphenyl)methyl]-3-({[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}sulfanyl)propanamide
CID 16016776
2-((6-(4-(1H-pyrazol-1-yl)phenyl)pyridazin-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18573978
6-(propylthio)-1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135418830
6-{[2-(2-Ethylpiperidin-1-YL)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 135449154

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide (CID 56766208) is N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is PUSGVCCMIMEMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-2-13-4-6-14(7-5-13)19-16(23)12-24-17-9-8-15(20-21-17)22-11-3-10-18-22/h3-11H,2,12H2,1H3,(H,19,23).
What are the key properties of N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 56766208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).