4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one

C28H26N4O3 — CID 95170126

IUPAC4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one
SMILESCOc1ccc(C(c2c(C)n(-c3ccccc3)[nH]c2=O)c2c(C)n(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C28H26N4O3/c1-18-24(27(33)29-31(18)21-10-6-4-7-11-21)26(20-14-16-23(35-3)17-15-20)25-19(2)32(30-28(25)34)22-12-8-5-9-13-22/h4-17,26H,1-3H3,(H,29,33)(H,30,34)
InChIKeyWEBGTALRZOKHBF-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.45
Rot. Bonds6

About 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one

4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one (PubChem CID 95170126) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one
PubChem CID95170126
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one
SMILESCOc1ccc(C(c2c(C)n(-c3ccccc3)[nH]c2=O)c2c(C)n(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C28H26N4O3/c1-18-24(27(33)29-31(18)21-10-6-4-7-11-21)26(20-14-16-23(35-3)17-15-20)25-19(2)32(30-28(25)34)22-12-8-5-9-13-22/h4-17,26H,1-3H3,(H,29,33)(H,30,34)
InChIKeyWEBGTALRZOKHBF-UHFFFAOYSA-N
XLogP4.45
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-4-[[2-(4-methoxyphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-phenylmethyl]-5-propyl-1H-pyrazol-3-one
CID 134695279
4-hydroxy-3-[(4-methoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]naphthalene-1,2-dione
CID 132837476
3-methyl-2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyrazol-5-one
CID 135064098
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-pentoxyphenyl)methyl]-2-phenyl-1H-pyrazol-3-one
CID 4222779
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
4-[1-(4-methoxyphenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 4114494
4-[[4-(diethoxymethyl)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 139229969
3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
CID 137000087
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
4-[[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-(4-methoxyphenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 139231669
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one (CID 95170126) is 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one is COc1ccc(C(c2c(C)n(-c3ccccc3)[nH]c2=O)c2c(C)n(-c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one?
The InChIKey is WEBGTALRZOKHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-18-24(27(33)29-31(18)21-10-6-4-7-11-21)26(20-14-16-23(35-3)17-15-20)25-19(2)32(30-28(25)34)22-12-8-5-9-13-22/h4-17,26H,1-3H3,(H,29,33)(H,30,34).
What are the key properties of 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one?
4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one has a molecular weight of 466.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 95170126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).