[(z)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate (CED0290585)

Record Information

Version

1.0

Creation Date

2026-08-30 23:40:11 UTC

Update Date

2026-08-30 23:40:11 UTC

SynCED ID

CED0290585

Secondary Accession Numbers

CHEM336062

Identification

Common Name

[(z)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate

Class

Small Molecule

Description

[(z)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate is a chemical compound with the formula C24H31N3O2. It has an average molecular weight of 393.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₄H₃₁N₃O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

393.242 g/mol

CAS Registry Number

1253429-01-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCN1C(=CC(=N1)C)C(=C(C#N)C2=CC=C(C=C2)C(C)(C)C)OC(=O)C(C)(C)C

InChI Identifier

InChI=1S/C24H31N3O2/c1-9-27-20(14-16(2)26-27)21(29-22(28)24(6,7)8)19(15-25)17-10-12-18(13-11-17)23(3,4)5/h10-14H,9H2,1-8H3/b21-19+

InChI Key

NWXGXRHWQUMXHA-XUTLUUPISA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
713.0 Log mg/kg [400:1300]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.305 Statistical Significance 0.0683 Supporting Reference Compounds 127 E-value 531.632
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.305 Statistical Significance 0.0903 Supporting Reference Compounds 192 E-value 703.134
Click to view 3D structure	Coiled-coil domain-containing protein 43	Q86WV7	Homo sapiens	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 9.20e-04 Supporting Reference Compounds 1 E-value 7.16213
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.319 Statistical Significance 0.1099 Supporting Reference Compounds 296 E-value 855.719
Click to view 3D structure	Cathepsin G	P08311	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.27 Low confidence Statistical Significance 0.0293 Supporting Reference Compounds 55 E-value 228.176
Click to view 3D structure	Chymotrypsin-like elastase family member 2A	P08419	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.27 Low confidence Statistical Significance 0.0128 Supporting Reference Compounds 23 E-value 100.036
Click to view 3D structure	Chymotrypsinogen B	P17538	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.27 Low confidence Statistical Significance 0.0125 Supporting Reference Compounds 25 E-value 97.7008
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P23204	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.305 Statistical Significance 0.0249 Supporting Reference Compounds 38 E-value 194.0
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.257 Low confidence Statistical Significance 0.0717 Supporting Reference Compounds 94 E-value 558.023
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.265 Low confidence Statistical Significance 0.7187 Supporting Reference Compounds 1498 E-value 5595.1
Click to view 3D structure	Chymase	P23946	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.27 Low confidence Statistical Significance 0.0417 Supporting Reference Compounds 35 E-value 324.943
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.263 Low confidence Statistical Significance 0.7323 Supporting Reference Compounds 1538 E-value 5700.98
Click to view 3D structure	Serine protease 1	P07477	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.264 Low confidence Statistical Significance 0.1034 Supporting Reference Compounds 112 E-value 804.805
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.275 Low confidence Statistical Significance 0.5479 Supporting Reference Compounds 1010 E-value 4265.75
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.265 Low confidence Statistical Significance 0.2755 Supporting Reference Compounds 425 E-value 2144.67
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.275 Low confidence Statistical Significance 0.546 Supporting Reference Compounds 807 E-value 4250.72
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.275 Low confidence Statistical Significance 0.6771 Supporting Reference Compounds 1660 E-value 5271.4
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.231 Low confidence Statistical Significance 0.7803 Supporting Reference Compounds 1245 E-value 6074.26
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.231 Low confidence Statistical Significance 0.6723 Supporting Reference Compounds 825 E-value 5233.96
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.265 Low confidence Statistical Significance 0.182 Supporting Reference Compounds 205 E-value 1416.7
Click to view 3D structure	Krueppel-like factor 5	Q13887	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.258 Low confidence Statistical Significance 0.0589 Supporting Reference Compounds 42 E-value 458.921
Click to view 3D structure	STE20/SPS1-related proline-alanine-rich protein kinase	O88506	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.224 Low confidence Statistical Significance 0.0274 Supporting Reference Compounds 1 E-value 213.307
Click to view 3D structure	Chymotrypsinogen B	P00767	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.263 Low confidence Statistical Significance 0.0181 Supporting Reference Compounds 6 E-value 140.751
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.238 Low confidence Statistical Significance 0.3476 Supporting Reference Compounds 425 E-value 2706.35
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.231 Low confidence Statistical Significance 0.7643 Supporting Reference Compounds 1130 E-value 5950.33