1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

C12H16ClN5O2 — CID 85039912

IUPAC1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1nn(CC(C)C)c(Cl)c1C=NN1CC(=O)NC1=O
InChIInChI=1S/C12H16ClN5O2/c1-7(2)5-17-11(13)9(8(3)16-17)4-14-18-6-10(19)15-12(18)20/h4,7H,5-6H2,1-3H3,(H,15,19,20)
InChIKeyLYXHYESNNKOBAW-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.39
Rot. Bonds4

About 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 85039912) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID85039912
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1nn(CC(C)C)c(Cl)c1C=NN1CC(=O)NC1=O
InChIInChI=1S/C12H16ClN5O2/c1-7(2)5-17-11(13)9(8(3)16-17)4-14-18-6-10(19)15-12(18)20/h4,7H,5-6H2,1-3H3,(H,15,19,20)
InChIKeyLYXHYESNNKOBAW-UHFFFAOYSA-N
XLogP1.39
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.39
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-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]imidazolidine-2,4-dione
CID 85039913
1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
CID 45115386
3-[(2Z)-2-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784924
(5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297415
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-methylaniline
CID 9059416
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 9015701
(2E)-2-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylidene]-3H-inden-1-one
CID 8857131
4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-3-(3-fluorophenyl)-1H-1,2,4-triazole-5-thione
CID 45114358
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9462905
2-(benzenesulfonamido)-N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9237733
(3R)-N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9238004
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518126

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione (CID 85039912) is 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is Cc1nn(CC(C)C)c(Cl)c1C=NN1CC(=O)NC1=O.
What is the InChIKey of 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is LYXHYESNNKOBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-7(2)5-17-11(13)9(8(3)16-17)4-14-18-6-10(19)15-12(18)20/h4,7H,5-6H2,1-3H3,(H,15,19,20).
What are the key properties of 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 297.75 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 85039912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).