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Ethyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylate

Ethyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylate - CAS 1791389-44-0

Name: Ethyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB051468
Product Name:	Ethyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylate
CAS:	1791389-44-0
Synonyms:	3-Amino-1-(2,2-difluoro-ethyl)-1H-pyrazole-4-carboxylic acid ethyl ester; 1H-Pyrazole-4-carboxylic acid, 3-amino-1-(2,2-difluoroethyl)-, ethyl ester

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate
Molecular Weight:	219.19
Molecular Formula:	C8H11F2N3O2
Canonical SMILES:	CCOC(=O)C1=CN(N=C1N)CC(F)F
InChI:	InChI=1S/C8H11F2N3O2/c1-2-15-8(14)5-3-13(4-6(9)10)12-7(5)11/h3,6H,2,4H2,1H3,(H2,11,12)
InChI Key:	TUPHLWIONCYQAF-UHFFFAOYSA-N
Boiling Point:	323.5±42.0°C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid

Pyrazoles

[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.08193293
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.08193293
Rotatable Bond Count:	5
Topological Polar Surface Area:	70.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4