1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

C21H19N5O2 — CID 9351336

IUPAC1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\N2CC(=O)NC2=O)cc1C
InChIInChI=1S/C21H19N5O2/c1-14-8-9-16(10-15(14)2)20-17(11-22-26-13-19(27)23-21(26)28)12-25(24-20)18-6-4-3-5-7-18/h3-12H,13H2,1-2H3,(H,23,27,28)/b22-11-
InChIKeyYGHCTLGZWQXTTK-JJFYIABZSA-N
MW373.42 g/mol
LogP3.04
Rot. Bonds4

About 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 9351336) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID9351336
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\N2CC(=O)NC2=O)cc1C
InChIInChI=1S/C21H19N5O2/c1-14-8-9-16(10-15(14)2)20-17(11-22-26-13-19(27)23-21(26)28)12-25(24-20)18-6-4-3-5-7-18/h3-12H,13H2,1-2H3,(H,23,27,28)/b22-11-
InChIKeyYGHCTLGZWQXTTK-JJFYIABZSA-N
XLogP3.04
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
CID 9351055
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423892
6-amino-1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025080
methyl N-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]carbamate
CID 9075461
(5Z)-4-(3,4-dimethylphenyl)imino-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782203
N-[[3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 171150923
4-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295694
6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
CID 9025043
(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328502
2-methyl-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinazolin-4-one
CID 23350657
(5E)-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1415803
(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 146000127

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione (CID 9351336) is 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\N2CC(=O)NC2=O)cc1C.
What is the InChIKey of 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is YGHCTLGZWQXTTK-JJFYIABZSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-8-9-16(10-15(14)2)20-17(11-22-26-13-19(27)23-21(26)28)12-25(24-20)18-6-4-3-5-7-18/h3-12H,13H2,1-2H3,(H,23,27,28)/b22-11-.
What are the key properties of 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 373.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9351336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).