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3-(2,2-Difluoroethoxy)-1-isopropyl-1H-pyrazol-4-amine hydrochloride

3-(2,2-Difluoroethoxy)-1-isopropyl-1H-pyrazol-4-amine hydrochloride - CAS 1431968-11-4

Catalog:	BB052183
Product Name:	3-(2,2-Difluoroethoxy)-1-isopropyl-1H-pyrazol-4-amine hydrochloride
CAS:	1431968-11-4
Synonyms:	3-(2,2-difluoroethoxy)-1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride

Technical Data

Computed Properties

IUPAC Name:	3-(2,2-difluoroethoxy)-1-propan-2-ylpyrazol-4-amine;hydrochloride
Molecular Weight:	241.66
Molecular Formula:	C8H14ClF2N3O
Canonical SMILES:	CC(C)N1C=C(C(=N1)OCC(F)F)N.Cl
InChI:	InChI=1S/C8H13F2N3O.ClH/c1-5(2)13-3-6(11)8(12-13)14-4-7(9)10;/h3,5,7H,4,11H2,1-2H3;1H
InChI Key:	XCJKGMGDBOJOQK-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

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2,5-Dichloro-4-fluorobenzoic acid

Halides

[859473-05-5]
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[134005-20-2]
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1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Pyrazoles

[1158353-54-8]
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[1006443-01-1]
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[1855911-19-1]
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[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.0793461
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	241.0793461
Rotatable Bond Count:	4
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0