5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one

C24H28N2O2 — CID 16678183

IUPAC5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one
SMILESCCCc1nn(C(C)C)c(=O)c(CCc2ccccc2)c1-c1ccccc1O
InChIInChI=1S/C24H28N2O2/c1-4-10-21-23(19-13-8-9-14-22(19)27)20(24(28)26(25-21)17(2)3)16-15-18-11-6-5-7-12-18/h5-9,11-14,17,27H,4,10,15-16H2,1-3H3
InChIKeyPTERVKUFVRFXDY-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.93
Rot. Bonds7

About 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one

5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one (PubChem CID 16678183) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one
PubChem CID16678183
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one
SMILESCCCc1nn(C(C)C)c(=O)c(CCc2ccccc2)c1-c1ccccc1O
InChIInChI=1S/C24H28N2O2/c1-4-10-21-23(19-13-8-9-14-22(19)27)20(24(28)26(25-21)17(2)3)16-15-18-11-6-5-7-12-18/h5-9,11-14,17,27H,4,10,15-16H2,1-3H3
InChIKeyPTERVKUFVRFXDY-UHFFFAOYSA-N
XLogP4.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one 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 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one?
The IUPAC name of 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one (CID 16678183) is 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one.
What is the SMILES notation for 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one?
The canonical SMILES for 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one is CCCc1nn(C(C)C)c(=O)c(CCc2ccccc2)c1-c1ccccc1O.
What is the InChIKey of 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one?
The InChIKey is PTERVKUFVRFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-10-21-23(19-13-8-9-14-22(19)27)20(24(28)26(25-21)17(2)3)16-15-18-11-6-5-7-12-18/h5-9,11-14,17,27H,4,10,15-16H2,1-3H3.
What are the key properties of 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one?
5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one has a molecular weight of 376.50 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-4-(2-phenylethyl)-2-propan-2-yl-6-propylpyridazin-3-one is sourced from PubChem (CID 16678183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).