5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

C21H15FN4O4 — CID 135490733

IUPAC5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=C3\C=NN=C3c3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H15FN4O4/c1-30-16-8-6-15(7-9-16)26-20(28)17(19(27)24-21(26)29)10-13-11-23-25-18(13)12-2-4-14(22)5-3-12/h2-11,28H,1H3,(H,24,27,29)/b13-10+
InChIKeyCQFKTQMXHYHDAE-JLHYYAGUSA-N
MW406.37 g/mol
LogP2.25
Rot. Bonds4

About 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 135490733) has the molecular formula C21H15FN4O4 and a molecular weight of 406.37 g/mol. Its IUPAC name is 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID135490733
Molecular FormulaC21H15FN4O4
Molecular Weight406.37 g/mol
Exact Mass406.11
IUPAC Name5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=C3\C=NN=C3c3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H15FN4O4/c1-30-16-8-6-15(7-9-16)26-20(28)17(19(27)24-21(26)29)10-13-11-23-25-18(13)12-2-4-14(22)5-3-12/h2-11,28H,1H3,(H,24,27,29)/b13-10+
InChIKeyCQFKTQMXHYHDAE-JLHYYAGUSA-N
XLogP2.25
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxy-5-[[3-(4-methoxyphenyl)pyrazol-4-ylidene]methyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 136612092
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
6-hydroxy-5-[(E)-[1-(4-methoxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-1-phenylpyrimidine-2,4-dione
CID 135688552
5-[(E)-[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 135821587
methyl (3E)-3-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylidene]indole-2-carboxylate
CID 135420644
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 2291302
1-(4-fluorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844632
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135956875
1-(4-ethoxyphenyl)-6-hydroxy-5-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrimidine-2,4-dione
CID 137070403
1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135706692

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 135490733) is 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C=C3\C=NN=C3c3ccc(F)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is CQFKTQMXHYHDAE-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H15FN4O4/c1-30-16-8-6-15(7-9-16)26-20(28)17(19(27)24-21(26)29)10-13-11-23-25-18(13)12-2-4-14(22)5-3-12/h2-11,28H,1H3,(H,24,27,29)/b13-10+.
What are the key properties of 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 406.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135490733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).