5-Amino-3-(3-fluorophenyl)pyrazole - CAS 766519-89-5

Catalog:	BB035655
Product Name:	5-Amino-3-(3-fluorophenyl)pyrazole
CAS:	766519-89-5
Synonyms:	5-(3-fluorophenyl)-1H-pyrazol-3-amine; 5-(3-fluorophenyl)-1H-pyrazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	5-(3-fluorophenyl)-1H-pyrazol-3-amine
Description:	5-Amino-3-(3-fluorophenyl)pyrazole (CAS# 766519-89-5) is a useful research chemical.
Molecular Weight:	177.18
Molecular Formula:	C9H8FN3
Canonical SMILES:	C1=CC(=CC(=C1)F)C2=CC(=NN2)N
InChI:	InChI=1S/C9H8FN3/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChI Key:	JWISUMPCIIZLHQ-UHFFFAOYSA-N
Boiling Point:	441.2 °C at 760 mmHg
Density:	1.334 g/cm³
LogP:	2.37920

Publication Number	Title	Priority Date
CN-112876482-A	Polysubstituted heterocyclic derivative, preparation method and medical application thereof	20201231
AU-2013334138-A1	Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher Syndrome	20121025
AU-2013334138-B2	Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher Syndrome	20121025
AU-2013334139-A1	Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher Syndrome	20121025
AU-2013334139-B2	Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with Usher Syndrome	20121025

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.07022543
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	177.07022543
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6