4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

C21H17ClN4O — CID 135507169

IUPAC4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=NC(=Cc3c(C)nn(-c4ccccc4)c3Cl)C(=O)N2)cc1
InChIInChI=1S/C21H17ClN4O/c1-13-8-10-15(11-9-13)20-23-18(21(27)24-20)12-17-14(2)25-26(19(17)22)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,24,27)
InChIKeyOKZUNXXFDOIUML-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.06
Rot. Bonds3

About 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (PubChem CID 135507169) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
PubChem CID135507169
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=NC(=Cc3c(C)nn(-c4ccccc4)c3Cl)C(=O)N2)cc1
InChIInChI=1S/C21H17ClN4O/c1-13-8-10-15(11-9-13)20-23-18(21(27)24-20)12-17-14(2)25-26(19(17)22)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,24,27)
InChIKeyOKZUNXXFDOIUML-UHFFFAOYSA-N
XLogP4.06
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 56687987
(5Z)-2-benzoyl-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-3-phenyl-1H-1,2,4-triazin-6-one
CID 155809565
(5Z)-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138376612
(4E)-2-(3-bromophenyl)-4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 98309363
(5Z)-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(3,5-dinitrobenzoyl)-3-phenyl-1H-1,2,4-triazin-6-one
CID 155814010
(5Z)-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-nitrobenzoyl)-3-phenyl-1H-1,2,4-triazin-6-one
CID 71677195
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4Z)-4-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylidene]-2-(2-chlorophenyl)-5-methylpyrazol-3-one
CID 19578700
(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893529
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
CID 7301273

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The IUPAC name of 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (CID 135507169) is 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The canonical SMILES for 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is Cc1ccc(C2=NC(=Cc3c(C)nn(-c4ccccc4)c3Cl)C(=O)N2)cc1.
What is the InChIKey of 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The InChIKey is OKZUNXXFDOIUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-8-10-15(11-9-13)20-23-18(21(27)24-20)12-17-14(2)25-26(19(17)22)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,24,27).
What are the key properties of 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one has a molecular weight of 376.85 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 135507169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).