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Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate

Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate - CAS 956263-70-0

Catalog:	BB052845
Product Name:	Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
CAS:	956263-70-0
Synonyms:	Ethyl3-((4-iodo-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
Molecular Weight:	348.1
Molecular Formula:	C9H9IN4O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)CN2C=C(C=N2)I
InChI:	InChI=1S/C9H9IN4O3/c1-2-16-9(15)8-12-7(13-17-8)5-14-4-6(10)3-11-14/h3-4H,2,5H2,1H3
InChI Key:	JZRIJIZGZYJQAN-UHFFFAOYSA-N
Boiling Point:	444.1±51.0 °C at 760 mmHg
Density:	2.0±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[4313-03-5]
2,4-Heptadienal

Oxadiazole/Thiadiazole

[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1170977-40-8]
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[956263-73-3]
Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	347.97194
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	347.97194
Rotatable Bond Count:	5
Topological Polar Surface Area:	83
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3