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1-(4-Amino-2-fluorophenyl)-1H-pyrazole-4-carboxylic acid

1-(4-Amino-2-fluorophenyl)-1H-pyrazole-4-carboxylic acid - CAS 1975119-09-5

Catalog:	BB051534
Product Name:	1-(4-Amino-2-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CAS:	1975119-09-5
Synonyms:	1H-Pyrazole-4-carboxylic acid, 1-(4-amino-2-fluorophenyl)-

Technical Data

Computed Properties

IUPAC Name:	1-(4-amino-2-fluorophenyl)pyrazole-4-carboxylic acid
Molecular Weight:	221.19
Molecular Formula:	C10H8FN3O2
Canonical SMILES:	C1=CC(=C(C=C1N)F)N2C=C(C=N2)C(=O)O
InChI:	InChI=1S/C10H8FN3O2/c11-8-3-7(12)1-2-9(8)14-5-6(4-13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChI Key:	JERWIHWOEXVDEY-UHFFFAOYSA-N
Boiling Point:	457.7±40.0°C (Predicted)
Purity:	≥95%
Density:	1.51±0.1 g/cm3 (Predicted)

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Related Functional Groups

Amines and Anilines

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
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[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
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2-Amino-6-fluorobenzaldehyde
[1239647-61-0]
2-Amino-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

Carbonyl Compounds

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1597-32-6]
2-Amino-6-fluoropyridine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[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:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.06005467
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	221.06005467
Rotatable Bond Count:	2
Topological Polar Surface Area:	81.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8