1-(2,2-Difluoroethyl)pyrazol-4-amine - CAS 1006333-08-9

Catalog:	BB000276
Product Name:	1-(2,2-Difluoroethyl)pyrazol-4-amine
CAS:	1006333-08-9
Synonyms:	1-(2,2-difluoroethyl)-4-pyrazolamine; 1-(2,2-difluoroethyl)pyrazol-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2,2-difluoroethyl)pyrazol-4-amine
Description:	1-(2,2-Difluoroethyl)-1H-pyrazol-4-amine acts as a reagent for the development of pyrimidine derivatives as JAK3 inhibitors.
Molecular Weight:	147.13
Molecular Formula:	C5H7F2N3
Canonical SMILES:	C1=C(C=NN1CC(F)F)N
InChI:	InChI=1S/C5H7F2N3/c6-5(7)3-10-2-4(8)1-9-10/h1-2,5H,3,8H2
InChI Key:	LMAYRTOWGOVCOR-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	1.31160

Publication Number	Title	Priority Date
AU-2018394995-A1	Amino-fluoropiperidine derivative as kinase inhibitor	20171228
AU-2018394996-A1	Amino-methyl piperidine derivative as kinase inhibitor	20171228
AU-2018394997-A1	Oxy-fluoropiperidine derivative as kinase inhibitor	20171228
KR-20190080540-A	Amino-fluoropiperidine derivatives as kinase inhibitor	20171228
KR-20190080541-A	Amino-methylpiperidine derivatives as kinase inhibitor	20171228

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Related Functional Groups

Amines and Anilines

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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:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.06080356
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.06080356
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3