1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione

C23H19Cl2N5O3 — CID 137074188

IUPAC1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C23H19Cl2N5O3/c1-13-20(14(2)29(28-13)12-15-7-3-4-8-17(15)24)26-11-16-21(31)27-23(33)30(22(16)32)19-10-6-5-9-18(19)25/h3-11,32H,12H2,1-2H3,(H,27,31,33)/b26-11+
InChIKeyBYLVZHRROTVPTK-KBKYJPHKSA-N
MW484.34 g/mol
LogP4.15
Rot. Bonds5

About 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione

1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 137074188) has the molecular formula C23H19Cl2N5O3 and a molecular weight of 484.34 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID137074188
Molecular FormulaC23H19Cl2N5O3
Molecular Weight484.34 g/mol
Exact Mass483.09
IUPAC Name1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C23H19Cl2N5O3/c1-13-20(14(2)29(28-13)12-15-7-3-4-8-17(15)24)26-11-16-21(31)27-23(33)30(22(16)32)19-10-6-5-9-18(19)25/h3-11,32H,12H2,1-2H3,(H,27,31,33)/b26-11+
InChIKeyBYLVZHRROTVPTK-KBKYJPHKSA-N
XLogP4.15
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-benzyl-3,5-dimethylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 137120832
5-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]iminomethyl]-1-(2-ethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 137070328
1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137075008
2-(4-bromo-3-methylphenyl)-4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-5-methyl-1H-pyrazol-3-one
CID 137070204
5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 137073863
1-(2-chlorophenyl)-6-hydroxy-5-[(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 4288914
1-(2-chlorophenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137073853
[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135717075
5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 137074698
1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea
CID 137070654
5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1379774
6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4124584

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 137074188) is 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione is Cc1nn(Cc2ccccc2Cl)c(C)c1/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is BYLVZHRROTVPTK-KBKYJPHKSA-N. The full InChI is InChI=1S/C23H19Cl2N5O3/c1-13-20(14(2)29(28-13)12-15-7-3-4-8-17(15)24)26-11-16-21(31)27-23(33)30(22(16)32)19-10-6-5-9-18(19)25/h3-11,32H,12H2,1-2H3,(H,27,31,33)/b26-11+.
What are the key properties of 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 484.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 137074188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).