5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one

C25H24N2O2S — CID 16678794

IUPAC5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one
SMILESCc1nn(CCc2ccccc2)c(=O)c(CCc2ccsc2)c1-c1ccccc1O
InChIInChI=1S/C25H24N2O2S/c1-18-24(21-9-5-6-10-23(21)28)22(12-11-20-14-16-30-17-20)25(29)27(26-18)15-13-19-7-3-2-4-8-19/h2-10,14,16-17,28H,11-13,15H2,1H3
InChIKeyWDHMHBJYHRMPGX-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.01
Rot. Bonds7

About 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one

5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one (PubChem CID 16678794) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one
PubChem CID16678794
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one
SMILESCc1nn(CCc2ccccc2)c(=O)c(CCc2ccsc2)c1-c1ccccc1O
InChIInChI=1S/C25H24N2O2S/c1-18-24(21-9-5-6-10-23(21)28)22(12-11-20-14-16-30-17-20)25(29)27(26-18)15-13-19-7-3-2-4-8-19/h2-10,14,16-17,28H,11-13,15H2,1H3
InChIKeyWDHMHBJYHRMPGX-UHFFFAOYSA-N
XLogP5.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-Hydroxy-phenyl)-5-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 3162038
[5-(4-Hydroxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-(2-thienyl)methanone
CID 12005820
[3-(2-Hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 2988713
2-[3-phenyl-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 2973911
2-[1-benzoyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 2991613
4-[5-phenyl-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 3511051
1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-methoxy-2-phenylethanone
CID 16335934
1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2992462
2-(diethylamino)-1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 18592764
2-(4-hydroxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 92445039
2-[[1-[2-(4-Hydroxyphenyl)acetyl]piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 95797591
2-[[1-[2-(3-Hydroxyphenyl)acetyl]piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 95797592

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one?
The IUPAC name of 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one (CID 16678794) is 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one is Cc1nn(CCc2ccccc2)c(=O)c(CCc2ccsc2)c1-c1ccccc1O.
What is the InChIKey of 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one?
The InChIKey is WDHMHBJYHRMPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-18-24(21-9-5-6-10-23(21)28)22(12-11-20-14-16-30-17-20)25(29)27(26-18)15-13-19-7-3-2-4-8-19/h2-10,14,16-17,28H,11-13,15H2,1H3.
What are the key properties of 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one?
5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one has a molecular weight of 416.55 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-6-methyl-2-(2-phenylethyl)-4-(2-thiophen-3-ylethyl)pyridazin-3-one is sourced from PubChem (CID 16678794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).