4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride

C24H22ClN3O3 — CID 90073062

IUPAC4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride
SMILESC=C(c1ccc(O)c(OC)c1)c1[nH]n(-c2ccccn2)c(=O)c1Cc1ccccc1.Cl
InChIInChI=1S/C24H21N3O3.ClH/c1-16(18-11-12-20(28)21(15-18)30-2)23-19(14-17-8-4-3-5-9-17)24(29)27(26-23)22-10-6-7-13-25-22;/h3-13,15,26,28H,1,14H2,2H3;1H
InChIKeyZFFIGIAJOGHWPZ-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.35
Rot. Bonds6

About 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride

4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride (PubChem CID 90073062) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride
PubChem CID90073062
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride
SMILESC=C(c1ccc(O)c(OC)c1)c1[nH]n(-c2ccccn2)c(=O)c1Cc1ccccc1.Cl
InChIInChI=1S/C24H21N3O3.ClH/c1-16(18-11-12-20(28)21(15-18)30-2)23-19(14-17-8-4-3-5-9-17)24(29)27(26-23)22-10-6-7-13-25-22;/h3-13,15,26,28H,1,14H2,2H3;1H
InChIKeyZFFIGIAJOGHWPZ-UHFFFAOYSA-N
XLogP4.35
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride 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 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride?
The IUPAC name of 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride (CID 90073062) is 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride.
What is the SMILES notation for 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride?
The canonical SMILES for 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride is C=C(c1ccc(O)c(OC)c1)c1[nH]n(-c2ccccn2)c(=O)c1Cc1ccccc1.Cl.
What is the InChIKey of 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride?
The InChIKey is ZFFIGIAJOGHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3.ClH/c1-16(18-11-12-20(28)21(15-18)30-2)23-19(14-17-8-4-3-5-9-17)24(29)27(26-23)22-10-6-7-13-25-22;/h3-13,15,26,28H,1,14H2,2H3;1H.
What are the key properties of 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride?
4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride has a molecular weight of 435.91 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 90073062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).