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Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate - CAS 1170802-11-5

Catalog:	BB048208
Product Name:	Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
CAS:	1170802-11-5
Synonyms:	ethyl 3-[(4-chloropyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-[(4-chloropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
Description:	Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate (CAS# 1170802-11-5 ) is a useful research chemical.
Molecular Weight:	256.64
Molecular Formula:	C9H9ClN4O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)CN2C=C(C=N2)Cl
InChI:	InChI=1S/C9H9ClN4O3/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:	ZQZURJOHYUGTNA-UHFFFAOYSA-N
Purity:	97 %

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[163719-81-1]
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[478030-57-8]
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
[1018143-62-8]
Ethyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
[938007-34-2]
N-(2-Aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxamide

Pyrazoles

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic 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
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1431964-06-5]
3-[(4-Aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid hydrochloride

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.0363179
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.0363179
Rotatable Bond Count:	5
Topological Polar Surface Area:	83
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3