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5-Amino-1-(4-fluorophenyl)pyrazole-4-carboxylic Acid

5-Amino-1-(4-fluorophenyl)pyrazole-4-carboxylic Acid - CAS 187949-90-2

Catalog:	BB014476
Product Name:	5-Amino-1-(4-fluorophenyl)pyrazole-4-carboxylic Acid
CAS:	187949-90-2
Synonyms:	5-amino-1-(4-fluorophenyl)-4-pyrazolecarboxylic acid; 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylic acid

Technical Data

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Patents

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Computed Properties

IUPAC Name:	5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
Description:	5-Amino-1-(4-fluorophenyl)pyrazole-4-carboxylic Acid (CAS# 187949-90-2) is a useful research chemical.
Molecular Weight:	221.19
Molecular Formula:	C10H8FN3O2
Canonical SMILES:	C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)N)F
InChI:	InChI=1S/C10H8FN3O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChI Key:	MZPQLGKWWLMKEO-UHFFFAOYSA-N
MDL:	MFCD01569434
LogP:	1.87300

Publication Number	Title	Priority Date
CN-110914263-A	Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors	20170504
EP-3619209-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
KR-20200013665-A	Bicyclic heterocyclic compounds substituted as NADPH oxidase inhibitors	20170504
WO-2018203298-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
JP-2020518624-A	Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors	20170504

PMID	Publication Date	Title	Journal
22749457	20120803	The evaluation of the applicability of a high pH mobile phase in ultrahigh performance liquid chromatography tandem mass spectrometry analysis of benzodiazepines and benzodiazepine-like hypnotics in urine and blood	Journal of chromatography. A

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	269
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7