5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione

C24H24N4O6 — CID 135970151

IUPAC5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(C2CC(c3c(O)n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2C(C)=O)c(OC)c1
InChIInChI=1S/C24H24N4O6/c1-14(29)28-19(17-10-9-16(33-2)11-20(17)34-3)12-18(26-28)21-22(30)25-24(32)27(23(21)31)13-15-7-5-4-6-8-15/h4-11,19,31H,12-13H2,1-3H3,(H,25,30,32)
InChIKeyIFTNRSXDPHUOFI-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.01
Rot. Bonds6

About 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione

5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 135970151) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione
PubChem CID135970151
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(C2CC(c3c(O)n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2C(C)=O)c(OC)c1
InChIInChI=1S/C24H24N4O6/c1-14(29)28-19(17-10-9-16(33-2)11-20(17)34-3)12-18(26-28)21-22(30)25-24(32)27(23(21)31)13-15-7-5-4-6-8-15/h4-11,19,31H,12-13H2,1-3H3,(H,25,30,32)
InChIKeyIFTNRSXDPHUOFI-UHFFFAOYSA-N
XLogP2.01
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-benzyl-5-[(3S)-3-(2,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxypyrimidine-2,4-dione
CID 136804899
5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135970186
5-[2-acetyl-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-butyl-6-hydroxypyrimidine-2,4-dione
CID 135970125
5-[(3S)-3-(2,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 136804947
5-[(3R)-3-(2,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 136804954
3-[(3S)-2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-methyl-4-phenyl-1H-quinolin-2-one
CID 136817061
5-[(3R)-3-(2,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 136804962
3-[(3R)-2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-1H-quinolin-2-one
CID 136747863
1-cyclohexyl-5-[(3S)-3-(2,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxypyrimidine-2,4-dione
CID 136804863
5-[(3R)-2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 136830578
1-[3-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 71946007
5-[3-(2,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 135896720

Frequently Asked Questions

What is the IUPAC name of 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione (CID 135970151) is 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione is COc1ccc(C2CC(c3c(O)n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2C(C)=O)c(OC)c1.
What is the InChIKey of 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is IFTNRSXDPHUOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-14(29)28-19(17-10-9-16(33-2)11-20(17)34-3)12-18(26-28)21-22(30)25-24(32)27(23(21)31)13-15-7-5-4-6-8-15/h4-11,19,31H,12-13H2,1-3H3,(H,25,30,32).
What are the key properties of 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione?
5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 464.48 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 135970151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).