4-Amino-1-(2,2,2-trifluoroethyl)pyrazole - CAS 919278-39-0

Catalog:	BB040383
Product Name:	4-Amino-1-(2,2,2-trifluoroethyl)pyrazole
CAS:	919278-39-0
Synonyms:	1-(2,2,2-trifluoroethyl)-4-pyrazolamine; 1-(2,2,2-trifluoroethyl)pyrazol-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1-(2,2,2-trifluoroethyl)pyrazol-4-amine
Description:	4-Amino-1-(2,2,2-trifluoroethyl)pyrazole (CAS# 919278-39-0) is a useful research chemical compound.
Molecular Weight:	165.12
Molecular Formula:	C5H6F3N3
Canonical SMILES:	C1=C(C=NN1CC(F)(F)F)N
InChI:	InChI=1S/C5H6F3N3/c6-5(7,8)3-11-2-4(9)1-10-11/h1-2H,3,9H2
InChI Key:	FDXLDVHECBHMRI-UHFFFAOYSA-N
LogP:	1.60880

Publication Number	Title	Priority Date
WO-2021062327-A1	Fused pyrimidine compounds, compositions and medicinal applications thereof	20190927
CN-111320624-A	Triazolopyridine and imidazopyridine compounds, and preparation method and medical application thereof	20181214
WO-2020104657-A1	Nlrp3 inhibitors	20181123
CN-113164763-A	NLRP3 inhibitor	20181123
EP-3883646-A1	Nlrp3 inhibitors	20181123

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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:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.05138169
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.05138169
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6