(5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione

C20H24N4O3 — CID 7205698

IUPAC(5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)N/C(=C\c2c(CC)[nH]n(Cc3ccccc3)c2=O)C1=O
InChIInChI=1S/C20H24N4O3/c1-3-5-11-23-19(26)17(21-20(23)27)12-15-16(4-2)22-24(18(15)25)13-14-9-7-6-8-10-14/h6-10,12,22H,3-5,11,13H2,1-2H3,(H,21,27)/b17-12-
InChIKeyAGTOEHHENQQVHO-ATVHPVEESA-N
MW368.44 g/mol
LogP2.48
Rot. Bonds7

About (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione

(5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione (PubChem CID 7205698) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione
PubChem CID7205698
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)N/C(=C\c2c(CC)[nH]n(Cc3ccccc3)c2=O)C1=O
InChIInChI=1S/C20H24N4O3/c1-3-5-11-23-19(26)17(21-20(23)27)12-15-16(4-2)22-24(18(15)25)13-14-9-7-6-8-10-14/h6-10,12,22H,3-5,11,13H2,1-2H3,(H,21,27)/b17-12-
InChIKeyAGTOEHHENQQVHO-ATVHPVEESA-N
XLogP2.48
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[(2-benzyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methylidene]-3-but-3-enylimidazolidine-2,4-dione
CID 7206030
5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
CID 54398318
3-[(4-methylphenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 78460286
(5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one
CID 51110726
(5Z)-3-butyl-5-ethylideneimidazolidine-2,4-dione
CID 12767212
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75193835
4-benzyl-1-butylpiperazine-2,6-dione
CID 58822020
(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 2715910
(5E)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 68648545
5-[(5-benzyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193880
5-[[5-(4-chlorophenyl)-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 75193982
3-[(2,4-difluorophenyl)methyl]-5-[(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 75142013

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione (CID 7205698) is (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione is CCCCN1C(=O)N/C(=C\c2c(CC)[nH]n(Cc3ccccc3)c2=O)C1=O.
What is the InChIKey of (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione?
The InChIKey is AGTOEHHENQQVHO-ATVHPVEESA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-5-11-23-19(26)17(21-20(23)27)12-15-16(4-2)22-24(18(15)25)13-14-9-7-6-8-10-14/h6-10,12,22H,3-5,11,13H2,1-2H3,(H,21,27)/b17-12-.
What are the key properties of (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione?
(5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione is sourced from PubChem (CID 7205698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).