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4-[[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid hydrochloride

4-[[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid hydrochloride - CAS 1431966-70-9

Catalog:	BB053252
Product Name:	4-[[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid hydrochloride
CAS:	1431966-70-9
Synonyms:	4-{[4-Amino-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoicacidhydrochloride

Technical Data

Computed Properties

IUPAC Name:	4-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid;hydrochloride
Molecular Weight:	321.68
Molecular Formula:	C12H11ClF3N3O2
Canonical SMILES:	C1=CC(=CC=C1CN2C=C(C(=N2)C(F)(F)F)N)C(=O)O.Cl
InChI:	InChI=1S/C12H10F3N3O2.ClH/c13-12(14,15)10-9(16)6-18(17-10)5-7-1-3-8(4-2-7)11(19)20;/h1-4,6H,5,16H2,(H,19,20);1H
InChI Key:	KZNLTSQVPSQWDM-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[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:	356
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	321.0491888
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	321.0491888
Rotatable Bond Count:	3
Topological Polar Surface Area:	81.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0