5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

C24H23N5O4 — CID 659765

IUPAC5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCc1c(/N=C/c2c(O)n(CCc3ccccc3)c(=O)[nH]c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H23N5O4/c1-16-20(23(32)29(27(16)2)18-11-7-4-8-12-18)25-15-19-21(30)26-24(33)28(22(19)31)14-13-17-9-5-3-6-10-17/h3-12,15,31H,13-14H2,1-2H3,(H,26,30,33)/b25-15+
InChIKeyVQAIUAQDJCDXHH-MFKUBSTISA-N
MW445.48 g/mol
LogP2.03
Rot. Bonds6

About 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 659765) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID659765
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCc1c(/N=C/c2c(O)n(CCc3ccccc3)c(=O)[nH]c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H23N5O4/c1-16-20(23(32)29(27(16)2)18-11-7-4-8-12-18)25-15-19-21(30)26-24(33)28(22(19)31)14-13-17-9-5-3-6-10-17/h3-12,15,31H,13-14H2,1-2H3,(H,26,30,33)/b25-15+
InChIKeyVQAIUAQDJCDXHH-MFKUBSTISA-N
XLogP2.03
TPSA114.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 659765) is 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is Cc1c(/N=C/c2c(O)n(CCc3ccccc3)c(=O)[nH]c2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is VQAIUAQDJCDXHH-MFKUBSTISA-N. The full InChI is InChI=1S/C24H23N5O4/c1-16-20(23(32)29(27(16)2)18-11-7-4-8-12-18)25-15-19-21(30)26-24(33)28(22(19)31)14-13-17-9-5-3-6-10-17/h3-12,15,31H,13-14H2,1-2H3,(H,26,30,33)/b25-15+.
What are the key properties of 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 445.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 659765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).