Results for:
PubChem ID: 540759

Ethyl 5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-1H-pyrazole-4-carboxylate

Compound Details

Synonymous names	SCHEMBL2801691 3-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)amino-4-carbethoxy-pyrazole Ethyl 3-([(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino)-1H-pyrazole-4-carboxylate # Ethyl 5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene)methylamino]-1H-pyrazole-4-carboxylate
Microorganism:	No
IUPAC name	ethyl 5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-1H-pyrazole-4-carboxylate
SMILES	CCOC(=O)C1=C(NN=C1)NC=C2C(=O)OC(OC2=O)(C)C
Inchi	InChI=1S/C13H15N3O6/c1-4-20-10(17)7-6-15-16-9(7)14-5-8-11(18)21-13(2,3)22-12(8)19/h5-6H,4H2,1-3H3,(H2,14,15,16)
Formula	C13H15N3O6
PubChem ID	540759
Molweight	309.27
LogP	1.8
Atoms	22
Bonds	5
H-bond Acceptor	8
H-bond Donor	2
Chemical Classification	amines aromatic compounds dioxanes esters heterocyclic compounds nitrogen compounds pyrazoles

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Aspergillus Flavus Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Aspergillus Flavus inoculated potato samples GC-MS no