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3-[(4-Aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid hydrochloride

3-[(4-Aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid hydrochloride - CAS 1431964-06-5

Catalog:	BB053266
Product Name:	3-[(4-Aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid hydrochloride
CAS:	1431964-06-5
Synonyms:	3-[(4-Amino-1H-pyrazol-1-yl)methyl]-4-methoxybenzoicacidhydrochloride

Technical Data

Computed Properties

IUPAC Name:	3-[(4-aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid;hydrochloride
Molecular Weight:	283.71
Molecular Formula:	C12H14ClN3O3
Canonical SMILES:	COC1=C(C=C(C=C1)C(=O)O)CN2C=C(C=N2)N.Cl
InChI:	InChI=1S/C12H13N3O3.ClH/c1-18-11-3-2-8(12(16)17)4-9(11)6-15-7-10(13)5-14-15;/h2-5,7H,6,13H2,1H3,(H,16,17);1H
InChI Key:	MNAGYWPVLQHRON-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

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1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
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1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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Carbonyl Compounds

[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
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Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.072369
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	283.072369
Rotatable Bond Count:	4
Topological Polar Surface Area:	90.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0