3-Fluoro-1H-pyrazole - CAS 14521-81-4

Catalog:	BB009904
Product Name:	3-Fluoro-1H-pyrazole
CAS:	14521-81-4
Synonyms:	5-fluoro-1H-pyrazole; 5-fluoro-1H-pyrazole

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Computed Properties

IUPAC Name:	5-fluoro-1H-pyrazole
Description:	3-fluoro-1H-Pyrazole has been the basis of many computational chemistry studies regarding its aromaticity and the structure of its tautomers.
Molecular Weight:	86.07
Molecular Formula:	C3H3FN2
Canonical SMILES:	C1=C(NN=C1)F
InChI:	InChI=1S/C3H3FN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChI Key:	WNDHCIJGEKNYNF-UHFFFAOYSA-N
MDL:	MFCD18205877
LogP:	0.54880

Publication Number	Title	Priority Date
CN-113461615-A	Preparation method of 4-fluoro-1H-pyrazole	20200330
CN-113072542-A	ROR gamma t inhibitor and preparation method and application thereof	20200106
WO-2021139595-A1	RORÎ³T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20200106
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2020243373-A1	Selective androgen receptor degrader (sard) ligands and methods of use thereof	20190529

PMID	Publication Date	Title	Journal
10067273	19990201	The synthesis and antiviral activity of 4-fluoro-1-beta-D-ribofuranosyl-1H-pyrazole-3-carboxamide	Nucleosides & nucleotides

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Related Functional Groups

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[473401-82-0]
1-(tert-Butyl) 2,5-dimethyl 1H-pyrrole-1,2,5-tricarboxylate
[2973-17-3]
N-Allylmaleimide
[73286-70-1]
N-Boc-2,5-dihydro-1H-pyrrole

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (66.67%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	86.02802627
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	86.02802627
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6